Geometry & MOs

Info

ID:	66756
PubChem CID:	46505210
Reduced:	N4O4C27H32 (1)
Stoich.:	A4B4C27D32 (1)
Weight, g/mol:	400.226312
ΔH_f, kcal/mol:	-71.51
Dipole, Da:	3.32
IP(EA), eV:	-8.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations