Geometry & MOs

Info

ID:	66388
PubChem CID:	46504489
Reduced:	ON3C16H18 (2)
Stoich.:	AB3C16D18 (2)
Weight, g/mol:	524.253589
ΔH_f, kcal/mol:	21.64
Dipole, Da:	5.86
IP(EA), eV:	-7.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations