Geometry & MOs

Info

ID:	66381
PubChem CID:	46504480
Reduced:	FON4C23H25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-25.38
Dipole, Da:	1.6
IP(EA), eV:	-8.07(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)C(=C2)C

DOS

IR

Vibrations