Geometry & MOs

Info

ID:	166049
PubChem CID:	74630369
Reduced:	ClOSN4C19H24 (1)
Stoich.:	ABCD4E19F24 (1)
Weight, g/mol:	390.12811
ΔH_f, kcal/mol:	18.37
Dipole, Da:	8.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754542
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=CN=C2SCC3CC(=O)[NH+]4CC(CCC4N3)Cl

DOS

IR

Vibrations