Geometry & MOs

Info

ID:	66382
PubChem CID:	46504481
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	414.241962
ΔH_f, kcal/mol:	-29.99
Dipole, Da:	3.54
IP(EA), eV:	-8.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methyl-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)/C=C/C4=CC5=C(C=C4)OCO5)C(=C2)C

DOS

IR

Vibrations