Geometry & MOs

Info

ID:	292599
PubChem CID:	117355949
Reduced:	NC17H23 (1)
Stoich.:	AB17C23 (1)
Weight, g/mol:	241.18305
ΔH_f, kcal/mol:	12.47
Dipole, Da:	4.04
IP(EA), eV:	-9.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylcyclohexyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)C2=CC=CC=C2C#N

DOS

IR

Vibrations