Geometry & MOs

Info

ID:	164284
PubChem CID:	74382711
Reduced:	OF2N2H16C19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	320.152478
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	2.03
IP(EA), eV:	-9.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(4-hydroxyphenyl)-N-(1-phenylbutyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C=C(C#N)C(=O)NC(C)C2=CC=CC=C2)F

DOS

IR

Vibrations