Geometry & MOs

Info

ID:	252682
PubChem CID:	103113210
Reduced:	O3N5C11H11 (1)
Stoich.:	A3B5C11D11 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	22.71
Dipole, Da:	3.29
IP(EA), eV:	-10.42(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2=NC=NN2

DOS

IR

Vibrations