Geometry & MOs

Info

ID:	23172
PubChem CID:	602664
Reduced:	ON3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	225.090212
ΔH_f, kcal/mol:	43.75
Dipole, Da:	8.4
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyrimido[1,2-a]benzimidazol-3-ylpropan-2-one

Drug info:

PubChemData

Smile

CC(=O)CC1=CN2C3=CC=CC=C3N=C2N=C1

DOS

IR

Vibrations