Geometry & MOs

Info

ID:	198538
PubChem CID:	79115510
Reduced:	OSN2C11H22 (1)
Stoich.:	ABC2D11E22 (1)
Weight, g/mol:	289.184193
ΔH_f, kcal/mol:	-71.18
Dipole, Da:	1.6
IP(EA), eV:	-8.73(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-fluorophenyl)-1-hydroxyethyl]-4-propylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N)C(=O)CSC

DOS

IR

Vibrations