Geometry & MOs

Info

ID:	292598
PubChem CID:	117355946
Reduced:	NOS2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	241.18305
ΔH_f, kcal/mol:	-13.27
Dipole, Da:	1.46
IP(EA), eV:	-8.69(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylcyclohexyl)benzonitrile

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1SC)C(=O)CCN

DOS

IR

Vibrations