Geometry & MOs

Info

ID:	152831
PubChem CID:	56311907
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	393.16079
ΔH_f, kcal/mol:	-61.04
Dipole, Da:	4.22
IP(EA), eV:	-9.11(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-chloroquinolin-3-yl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations