Geometry & MOs

Info

ID:	249568
PubChem CID:	103090520
Reduced:	NOSC15H27 (1)
Stoich.:	ABCD15E27 (1)
Weight, g/mol:	159.071785
ΔH_f, kcal/mol:	-69.23
Dipole, Da:	3.83
IP(EA), eV:	-8.68(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-6-methylsulfanylhexanenitrile

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)(C#N)C(CCCSC)O

DOS

IR

Vibrations