Geometry & MOs

Info

ID:	198686
PubChem CID:	79136621
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	-12.18
Dipole, Da:	5.44
IP(EA), eV:	-9.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-ethylphenyl)-hydroxymethyl]-4,4-dimethylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C(C)C#N)O

DOS

IR

Vibrations