Geometry & MOs

Info

ID:	207469
PubChem CID:	80400776
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	271.170292
ΔH_f, kcal/mol:	-67.07
Dipole, Da:	3.54
IP(EA), eV:	-9.35(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-chloro-3-cyclohexylpropan-1-one

Drug info:

PubChemData

Smile

C#CCN(CCC1CCCCC1)CC(=O)O

DOS

IR

Vibrations