Geometry & MOs

Info

ID:	66759
PubChem CID:	46505215
Reduced:	OSN4C22H24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	406.182733
ΔH_f, kcal/mol:	43.7
Dipole, Da:	3.78
IP(EA), eV:	-8.0(-1.13)
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-methylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)/C=C/C3=CC=CS3)N4CCN(CC4)C

DOS

IR

Vibrations