Geometry & MOs

Info

ID:	265856
PubChem CID:	103554779
Reduced:	O3N4C9H16 (1)
Stoich.:	A3B4C9D16 (1)
Weight, g/mol:	241.117489
ΔH_f, kcal/mol:	-37.19
Dipole, Da:	9.17
IP(EA), eV:	-8.97(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]butanamide

Drug info:

PubChemData

Smile

CCC(CO)NC1=C(N=C(N1C)C)[N+](=O)[O-]

DOS

IR

Vibrations