Geometry & MOs

Info

ID:	66484
PubChem CID:	46504661
Reduced:	ClON3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	411.151368
ΔH_f, kcal/mol:	-0.17
Dipole, Da:	2.49
IP(EA), eV:	-7.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-fluoro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)C(=C2)C

DOS

IR

Vibrations