Geometry & MOs

Info

ID:	188269
PubChem CID:	77692304
Reduced:	N2O6H11C13 (1)
Stoich.:	A2B6C11D13 (1)
Weight, g/mol:	292.069536
ΔH_f, kcal/mol:	-102.52
Dipole, Da:	7.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782088
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(4-nitrophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1C(C(=O)N(C1=O)CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)[O-]

DOS

IR

Vibrations