Geometry & MOs

Info

ID:	393413
PubChem CID:	135020482
Reduced:	O2F3H16C20 (2)
Stoich.:	A2B3C16D20 (2)
Weight, g/mol:	724.128035
ΔH_f, kcal/mol:	-399.93
Dipole, Da:	1.12
IP(EA), eV:	-8.75(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-3-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]naphthalen-1-yl]-3-[2-methoxy-3-nitro-5-(trifluoromethyl)phenyl]naphthalen-2-ol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)OC1=C(C=C(C=C1)C(F)(F)F)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=C(C=CC(=C6)C(F)(F)F)OC(C)C)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)OC1=C(C=C(C=C1)C(F)(F)F)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=C(C=CC(=C6)C(F)(F)F)OC(C)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):