Geometry & MOs

Info

ID:	196869
PubChem CID:	78889146
Reduced:	FO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	344.072784
ΔH_f, kcal/mol:	-107.54
Dipole, Da:	5.34
IP(EA), eV:	-8.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(3-ethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations