Geometry & MOs

Info

ID:	18291
PubChem CID:	539403
Reduced:	N3O3C6H7 (1)
Stoich.:	A3B3C6D7 (1)
Weight, g/mol:	169.048741
ΔH_f, kcal/mol:	-18.83
Dipole, Da:	3.64
IP(EA), eV:	-10.42(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-5-nitroimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1C(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations