Geometry & MOs

Info

ID:	225028
PubChem CID:	85735657
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	261.15175
ΔH_f, kcal/mol:	-63.9
Dipole, Da:	4.63
IP(EA), eV:	-8.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenylcyclohexyl)benzonitrile

Drug info:

PubChemData

Smile

CN1CCCC1CS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations