Geometry & MOs

Info

ID:	12888
PubChem CID:	147793
Reduced:	O3N4C10H12 (1)
Stoich.:	A3B4C10D12 (1)
Weight, g/mol:	236.09094
ΔH_f, kcal/mol:	2.87
Dipole, Da:	11.46
IP(EA), eV:	-9.71(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(1-methyl-4-nitroimidazol-2-yl)methylidene]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1CCC(=CC2=NC(=CN2C)[N+](=O)[O-])C1=O

DOS

IR

Vibrations