Geometry & MOs

Info

ID:	202151
PubChem CID:	79636470
Reduced:	NSC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	274.15037
ΔH_f, kcal/mol:	65.11
Dipole, Da:	3.08
IP(EA), eV:	-8.84(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylsulfanyl-1-(propylamino)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CC(C1)(C#N)NC2CC2)SC3=CC=CS3

DOS

IR

Vibrations