Geometry & MOs

Info

ID:	122649
PubChem CID:	50816196
Reduced:	O3N4H26C29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-21.4
Dipole, Da:	6.57
IP(EA), eV:	-8.14(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetamidophenyl)-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CNC5=C4C=C(C=C5)OC

DOS

IR

Vibrations