Geometry & MOs

Info

ID:	178625
PubChem CID:	76358265
Reduced:	O4N5H17C23 (1)
Stoich.:	A4B5C17D23 (1)
Weight, g/mol:	319.118399
ΔH_f, kcal/mol:	-10.9
Dipole, Da:	5.02
IP(EA), eV:	-9.32(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC(=C4)C5NC(=O)ON5

DOS

IR

Vibrations