Geometry & MOs

Info

ID:	17166
PubChem CID:	486631
Reduced:	ON3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	199.074562
ΔH_f, kcal/mol:	17.09
Dipole, Da:	5.04
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1H-pyrimido[1,2-a]benzimidazol-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C3=CC=CC=C3N=C2N1

DOS

IR

Vibrations