Geometry & MOs

Info

ID:	198667
PubChem CID:	79132934
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	265.240565
ΔH_f, kcal/mol:	-48.47
Dipole, Da:	4.14
IP(EA), eV:	-8.97(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(1-hydroxyoctyl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CCC(C1(CC2=CC=CC=C2OC1)C#N)O

DOS

IR

Vibrations