Geometry & MOs

Info

ID:	158111
PubChem CID:	56462999
Reduced:	N2O2F3H17C20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	363.144613
ΔH_f, kcal/mol:	-168.52
Dipole, Da:	6.0
IP(EA), eV:	-9.24(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4,4,4-trifluoro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

C=CCNC(=O)C1=CC=CC=C1NC(=O)/C=C(\C2=CC=CC=C2)/C(F)(F)F

DOS

IR

Vibrations