Geometry & MOs

Info

ID:	178638
PubChem CID:	76360789
Reduced:	N5O5H21C23 (1)
Stoich.:	A5B5C21D23 (1)
Weight, g/mol:	353.103891
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	6.92
IP(EA), eV:	-9.51(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)C(C2=CC=CC=C2)C(=O)NCC(=O)NC3=CC=CC4=C3C(=O)N=NC4=O

DOS

IR

Vibrations