Geometry & MOs

Info

ID:	66758
PubChem CID:	46505213
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	392.167083
ΔH_f, kcal/mol:	49.65
Dipole, Da:	3.11
IP(EA), eV:	-8.04(-1.12)
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-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations