Geometry & MOs

Info

ID:	122220
PubChem CID:	50798153
Reduced:	FON3H16C22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	485.198238
ΔH_f, kcal/mol:	20.99
Dipole, Da:	4.14
IP(EA), eV:	-9.36(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NCC4=CC(=CC=C4)F

DOS

IR

Vibrations