Geometry & MOs

Info

ID:	343802
PubChem CID:	127266978
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	316.139862
ΔH_f, kcal/mol:	-85.26
Dipole, Da:	4.75
IP(EA), eV:	-8.73(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-methyl-2-(2,2,2-trifluoroethoxy)anilino]azepan-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2(CCCC2)CNC3CCC(=O)NCC3

DOS

IR

Vibrations