Geometry & MOs

Info

ID:	9914
PubChem CID:	94675
Reduced:	O3N6C10H10 (1)
Stoich.:	A3B6C10D10 (1)
Weight, g/mol:	262.081438
ΔH_f, kcal/mol:	35.53
Dipole, Da:	8.59
IP(EA), eV:	-9.91(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-2-nitroimidazol-1-yl)-N-pyrimidin-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CN=C(N1CC(=O)NC2=NC=CC=N2)[N+](=O)[O-]

DOS

IR

Vibrations