Geometry & MOs

Info

ID:	136754
PubChem CID:	52094802
Reduced:	Cl2N2O2H12C17 (1)
Stoich.:	A2B2C2D12E17 (1)
Weight, g/mol:	368.09277
ΔH_f, kcal/mol:	-21.17
Dipole, Da:	4.02
IP(EA), eV:	-9.39(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(7-chloroquinolin-4-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC(=O)NC2=C3C=CC(=CC3=NC=C2)Cl)Cl

DOS

IR

Vibrations