Geometry & MOs

Info

ID:	66386
PubChem CID:	46504487
Reduced:	O4N6C31H36 (1)
Stoich.:	A4B6C31D36 (1)
Weight, g/mol:	464.23246
ΔH_f, kcal/mol:	-61.67
Dipole, Da:	4.17
IP(EA), eV:	-8.33(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C5=NC=CC=N5

DOS

IR

Vibrations