Geometry & MOs

Info

ID:	166779
PubChem CID:	74732933
Reduced:	N3O6H14C19 (1)
Stoich.:	A3B6C14D19 (1)
Weight, g/mol:	429.15628
ΔH_f, kcal/mol:	-44.34
Dipole, Da:	13.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.940930
Charge, e:	1

Chem-info

IUPAC name:

1'-methyl-4'-(3-nitrophenyl)-3'-(pyridine-4-carbonyl)spiro[1H-indole-3,2'-pyrrolidin-1-ium]-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3[N+](=O)[O-])C(=NC2=O)[O-]

DOS

IR

Vibrations