Geometry & MOs

Info

ID:	66385
PubChem CID:	46504486
Reduced:	O3N6C27H28 (1)
Stoich.:	A3B6C27D28 (1)
Weight, g/mol:	556.279804
ΔH_f, kcal/mol:	-1.18
Dipole, Da:	3.39
IP(EA), eV:	-8.07(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-triethoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC)N4CCN(CC4)C5=NC=CC=N5

DOS

IR

Vibrations