Geometry & MOs

Info

ID:	178643
PubChem CID:	76361059
Reduced:	N2O2F3C25H29 (1)
Stoich.:	A2B2C3D25E29 (1)
Weight, g/mol:	363.144613
ΔH_f, kcal/mol:	-231.19
Dipole, Da:	4.35
IP(EA), eV:	-9.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-ethoxyphenyl)ethyl]-4,4,4-trifluoro-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C=C(C2=CC=CC=C2)C(F)(F)F)C(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations