Geometry & MOs

Info

ID:	66490
PubChem CID:	46504674
Reduced:	O2N3C30H37 (1)
Stoich.:	A2B3C30D37 (1)
Weight, g/mol:	429.241627
ΔH_f, kcal/mol:	-43.28
Dipole, Da:	4.2
IP(EA), eV:	-7.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)/C=C/C4=CC=C(C=C4)OCCC(C)C)C(=C2)C

DOS

IR

Vibrations