Geometry & MOs

Info

ID:	166877
PubChem CID:	74747707
Reduced:	FO3N4C27H32 (1)
Stoich.:	AB3C4D27E32 (1)
Weight, g/mol:	374.1617
ΔH_f, kcal/mol:	-100.04
Dipole, Da:	5.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755606
Charge, e:	1

Chem-info

IUPAC name:

5-ethyl-N-(4-methylpyridin-2-yl)-3-oxo-2-phenyl-5H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F)C(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations