Geometry & MOs

Info

ID:	343800
PubChem CID:	127266976
Reduced:	OF2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	302.124212
ΔH_f, kcal/mol:	-115.32
Dipole, Da:	5.42
IP(EA), eV:	-7.95(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2,2,2-trifluoroethoxy)anilino]azepan-2-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)NC2=CC=C(C=C2)NCC3CC3(F)F

DOS

IR

Vibrations