Geometry & MOs

Info

ID:	202153
PubChem CID:	79636486
Reduced:	OSN2C13H24 (1)
Stoich.:	ABC2D13E24 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-43.03
Dipole, Da:	4.81
IP(EA), eV:	-8.65(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)SCCCOC)C#N

DOS

IR

Vibrations