Geometry & MOs

Info

ID:	131200
PubChem CID:	51173826
Reduced:	FON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	336.104482
ΔH_f, kcal/mol:	-57.12
Dipole, Da:	6.54
IP(EA), eV:	-9.37(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C(C)(C#N)NC(=O)CN(C)CC1=CC=C(C=C1)F

DOS

IR

Vibrations