Geometry & MOs

Info

ID:	283154
PubChem CID:	103961532
Reduced:	BrC14H27 (1)
Stoich.:	AB14C27 (1)
Weight, g/mol:	277.240565
ΔH_f, kcal/mol:	-69.0
Dipole, Da:	2.67
IP(EA), eV:	-10.1(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)-3-methylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CCCC(C1CC(CC(C1)(C)C)(C)C)Br

DOS

IR

Vibrations