Geometry & MOs

Info

ID:	265849
PubChem CID:	103554586
Reduced:	N4O4C13H14 (1)
Stoich.:	A4B4C13D14 (1)
Weight, g/mol:	256.117155
ΔH_f, kcal/mol:	-45.97
Dipole, Da:	8.79
IP(EA), eV:	-9.45(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=C(N=C(N2C)C)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations