Geometry & MOs

Info

ID:	66760
PubChem CID:	46505216
Reduced:	OSN4C23H26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	32.98
Dipole, Da:	4.66
IP(EA), eV:	-7.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)/C=C/C(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C

DOS

IR

Vibrations