Geometry & MOs

Info

ID:	66383
PubChem CID:	46504482
Reduced:	ON4C26H30 (1)
Stoich.:	AB4C26D30 (1)
Weight, g/mol:	484.222289
ΔH_f, kcal/mol:	25.05
Dipole, Da:	2.61
IP(EA), eV:	-8.0(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)/C(=C\C4=CC=CC=C4)/C)C(=C2)C

DOS

IR

Vibrations