Geometry & MOs

Info

ID:	151816
PubChem CID:	56310627
Reduced:	O3N4C24H38 (1)
Stoich.:	A3B4C24D38 (1)
Weight, g/mol:	410.150954
ΔH_f, kcal/mol:	-133.96
Dipole, Da:	4.07
IP(EA), eV:	-8.77(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCC3CN(CCO3)CC(C)C

DOS

IR

Vibrations