Geometry & MOs

Info

ID:	66757
PubChem CID:	46505211
Reduced:	ON4C25H28 (1)
Stoich.:	AB4C25D28 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	31.3
Dipole, Da:	2.76
IP(EA), eV:	-8.01(-0.4)
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-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations