Geometry & MOs

Info

ID:	196067
PubChem CID:	78775945
Reduced:	ClO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	337.09819
ΔH_f, kcal/mol:	-35.38
Dipole, Da:	1.88
IP(EA), eV:	-9.26(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(4-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations