Geometry & MOs

Info

ID:	283155
PubChem CID:	103961566
Reduced:	NOC18H31 (1)
Stoich.:	ABC18D31 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	4.23
IP(EA), eV:	-10.45(1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)acetonitrile

Drug info:

PubChemData

Smile

CC1CCCC(C1)(C#N)C2(CC(CC(C2)(C)C)(C)C)O

DOS

IR

Vibrations