Geometry & MOs

Info

ID:	201713
PubChem CID:	79570036
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	237.209264
ΔH_f, kcal/mol:	-20.67
Dipole, Da:	3.24
IP(EA), eV:	-8.78(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4,4-dimethylazepan-1-yl)ethyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

C1CC(C(=O)C1)CCN(CC2CC2)C3CC3

DOS

IR

Vibrations