Geometry & MOs

Info

ID:

165327

PubChem CID:

74532651

Reduced:

N4O5C24H27 (1)

Stoich.:

A4B5C24D27 (1)

Weight, g/mol:

467.188329

ΔHf, kcal/mol:

-179.0

Dipole, Da:

6.94

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764632

Charge, e:

 1

Chem-info

IUPAC name:

5-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-3-oxo-2-phenyl-5H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C(=O)N2)C(CC3=CNC4=CC=CC=C43)C(=O)N5CCCC5C(=O)[O-]

DOS

IR

Vibrations