Geometry & MOs

Info

ID:	152021
PubChem CID:	56310866
Reduced:	ClON2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	393.16079
ΔH_f, kcal/mol:	-23.17
Dipole, Da:	5.42
IP(EA), eV:	-8.67(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC3=CC=CC=C3Cl

DOS

IR

Vibrations