Geometry & MOs

Info

ID:	182391
PubChem CID:	76884238
Reduced:	ClFO2N3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	323.107005
ΔH_f, kcal/mol:	-34.79
Dipole, Da:	7.41
IP(EA), eV:	-8.29(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)NC2=CC(=C(C=C2)OC)F)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations