Geometry & MOs

Info

ID:	249569
PubChem CID:	103090522
Reduced:	NOSC7H13 (1)
Stoich.:	ABCD7E13 (1)
Weight, g/mol:	229.11365
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	3.37
IP(EA), eV:	-8.66(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCCC(CC#N)O

DOS

IR

Vibrations