Geometry & MOs

Info

ID:	393411
PubChem CID:	135020480
Reduced:	N3O7C20H25 (1)
Stoich.:	A3B7C20D25 (1)
Weight, g/mol:	634.157878
ΔH_f, kcal/mol:	-212.8
Dipole, Da:	5.69
IP(EA), eV:	-9.88(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalen-1-yl]-3-[2-methoxy-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(=O)N[C@@H]1[C@H](CC=C[C@@H]1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C

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(=O)N[C@@H]1[C@H](CC=C[C@@H]1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):