Geometry & MOs

Info

ID:	198665
PubChem CID:	79132780
Reduced:	NOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	237.209264
ΔH_f, kcal/mol:	-19.59
Dipole, Da:	5.39
IP(EA), eV:	-10.84(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-(1-hydroxy-3,3-dimethylbutyl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CCC(C#N)C(C1CC1)O

DOS

IR

Vibrations