Geometry & MOs

Info

ID:	165345
PubChem CID:	74535292
Reduced:	O3N6C22H32 (1)
Stoich.:	A3B6C22D32 (1)
Weight, g/mol:	487.133707
ΔH_f, kcal/mol:	-94.47
Dipole, Da:	6.81
IP(EA), eV:	-9.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)CCC(=O)NCC3=CN=CC=C3)CC(C)C

DOS

IR

Vibrations