Geometry & MOs

Info

ID:	440895
PubChem CID:	135232096
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	305.101171
ΔH_f, kcal/mol:	-122.37
Dipole, Da:	6.24
IP(EA), eV:	-9.12(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-3-(4-methoxy-3-nitrophenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOCOC1=CC=C(C=C1)C(CC(=O)OC)N2C=CN=C2

DOS

IR

Vibrations