Geometry & MOs

Info

ID:	178632
PubChem CID:	76358535
Reduced:	O2F3N3H18C21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	319.118399
ΔH_f, kcal/mol:	-143.83
Dipole, Da:	5.58
IP(EA), eV:	-8.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylphenyl)-4,4,4-trifluoro-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C=C(C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations