Geometry & MOs

Info

ID:	178626
PubChem CID:	76358313
Reduced:	NOF3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	349.128963
ΔH_f, kcal/mol:	-154.77
Dipole, Da:	4.36
IP(EA), eV:	-8.9(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-N-[2-(4-methoxyphenyl)ethyl]-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations