Geometry & MOs

Info

ID:	141115
PubChem CID:	52820750
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	407.17644
ΔH_f, kcal/mol:	-145.34
Dipole, Da:	6.45
IP(EA), eV:	-8.45(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OC[C@H](CN2CCN(CC2)C(=O)CCCC3=CC=CC=C3)O

DOS

IR

Vibrations