Geometry & MOs

Info

ID:	7310
PubChem CID:	72105
Reduced:	ON3C5H5 (2)
Stoich.:	AB3C5D5 (2)
Weight, g/mol:	246.086524
ΔH_f, kcal/mol:	83.58
Dipole, Da:	5.12
IP(EA), eV:	-9.49(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1C(=CN=C1C=CC2=NC(=NC=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations