Geometry & MOs

Info

ID:	249567
PubChem CID:	103090517
Reduced:	NOSC13H21 (1)
Stoich.:	ABCD13E21 (1)
Weight, g/mol:	269.181336
ΔH_f, kcal/mol:	-37.71
Dipole, Da:	3.37
IP(EA), eV:	-8.59(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxy-4-methylsulfanylbutyl)-4-propylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CSCCCC(C1(CC2CCC1C2)C#N)O

DOS

IR

Vibrations