Geometry & MOs

Info

ID:	198608
PubChem CID:	79125094
Reduced:	NOC19H27 (1)
Stoich.:	ABC19D27 (1)
Weight, g/mol:	285.209264
ΔH_f, kcal/mol:	-50.44
Dipole, Da:	4.07
IP(EA), eV:	-9.25(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[hydroxy-(2,4,6-trimethylphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CCC1CCCC(C1)(C#N)C(C2=C(C=C(C=C2C)C)C)O

DOS

IR

Vibrations