Geometry & MOs

Info

ID:	160614
PubChem CID:	57389216
Reduced:	FN5O5C24H28 (1)
Stoich.:	AB5C5D24E28 (1)
Weight, g/mol:	345.16079
ΔH_f, kcal/mol:	-202.46
Dipole, Da:	4.23
IP(EA), eV:	-9.23(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2C(=O)C(=O)N3CC4(CCC(C3=N2)(CC4)NC(=O)C(=O)N(C)C)F

DOS

IR

Vibrations