Geometry & MOs

Info

ID:	164986
PubChem CID:	74480374
Reduced:	N3O6H22C23 (1)
Stoich.:	A3B6C22D23 (1)
Weight, g/mol:	430.153359
ΔH_f, kcal/mol:	-95.08
Dipole, Da:	8.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.290018
Charge, e:	1

Chem-info

IUPAC name:

5-chloro-5'-(1-hydroxyethyl)-N-(4-methoxyphenyl)-7-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidin-1-ium]-3'-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2(CC(=NO2)C3=CC(=C(C=C3)OCC#N)OC)CC(=O)[O-])C

DOS

IR

Vibrations