Geometry & MOs

Info

ID:	66755
PubChem CID:	46505209
Reduced:	BrClON4C22H22 (1)
Stoich.:	ABCD4E22F22 (1)
Weight, g/mol:	476.242356
ΔH_f, kcal/mol:	21.3
Dipole, Da:	2.61
IP(EA), eV:	-8.09(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Br)Cl)N4CCN(CC4)C

DOS

IR

Vibrations