Geometry & MOs

Info

ID:	165320
PubChem CID:	74531735
Reduced:	OSCl2N4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	435.183244
ΔH_f, kcal/mol:	37.46
Dipole, Da:	6.33
IP(EA), eV:	-9.34(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)Cl)SC2=NN=CN2C3=CC(=CC=C3)Cl

DOS

IR

Vibrations