Geometry & MOs

Info

ID:	146961
PubChem CID:	53776805
Reduced:	ClFO2N3H15C18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	592.314852
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	1.4
IP(EA), eV:	-8.96(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-[2-[3-(3,5-dihydroxy-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)propoxy]ethoxy]ethoxy]propyl]-1-prop-2-enyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol

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

CC1=NN(C(=C1N(C=O)C2=CC=C(C=C2)F)OC3=CC=C(C=C3)Cl)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

CC1=NN(C(=C1N(C=O)C2=CC=C(C=C2)F)OC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):