Geometry & MOs

Info

ID:	66486
PubChem CID:	46504663
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	438.145868
ΔH_f, kcal/mol:	-20.6
Dipole, Da:	1.32
IP(EA), eV:	-7.95(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=CO4)C(=C2)C

DOS

IR

Vibrations