Geometry & MOs

Info

ID:	8893
PubChem CID:	83213
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	275.090606
ΔH_f, kcal/mol:	-40.02
Dipole, Da:	7.08
IP(EA), eV:	-10.06(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoate

Drug info:

PubChemData

Smile

CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations