Geometry & MOs

Info

ID:	343792
PubChem CID:	127266968
Reduced:	ON2F3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	302.124212
ΔH_f, kcal/mol:	-166.0
Dipole, Da:	1.04
IP(EA), eV:	-8.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,2,2-trifluoroethoxy)anilino]azepan-2-one

Drug info:

PubChemData

Smile

CC(CCC#N)CNC1=CC=CC=C1OCC(F)(F)F

DOS

IR

Vibrations