Geometry & MOs

Info

ID:	129515
PubChem CID:	51072919
Reduced:	ClNSO2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	327.11384
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	3.33
IP(EA), eV:	-9.32(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4-chlorophenyl)ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(CC1=CC=C(S1)Cl)C(=O)CCC2=CC=CO2

DOS

IR

Vibrations