Geometry & MOs

Info

ID:	265848
PubChem CID:	103554520
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	290.101505
ΔH_f, kcal/mol:	-131.07
Dipole, Da:	1.16
IP(EA), eV:	-9.24(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(C2COCCN2C(=O)OC(C)(C)C)N

DOS

IR

Vibrations