Geometry & MOs

Info

ID:	208908
PubChem CID:	80602824
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	267.256215
ΔH_f, kcal/mol:	-68.44
Dipole, Da:	10.86
IP(EA), eV:	-9.91(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)cyclooctyl]-2-cyclohexylethanol

Drug info:

PubChemData

Smile

C1CC(C(=O)C1)CCN2C=CC(=O)C(=C2)[N+](=O)[O-]

DOS

IR

Vibrations