Geometry & MOs

Info

ID:	9231
PubChem CID:	87302
Reduced:	NOSC5H9 (1)
Stoich.:	ABCD5E9 (1)
Weight, g/mol:	131.040485
ΔH_f, kcal/mol:	-23.79
Dipole, Da:	3.34
IP(EA), eV:	-8.91(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-methylsulfanylbutanenitrile

Drug info:

PubChemData

Smile

CSCCC(C#N)O

DOS

IR

Vibrations