Geometry & MOs

Info

ID:	249566
PubChem CID:	103090509
Reduced:	NOSC8H19 (1)
Stoich.:	ABCD8E19 (1)
Weight, g/mol:	239.134385
ΔH_f, kcal/mol:	-64.57
Dipole, Da:	0.39
IP(EA), eV:	-8.54(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxy-4-methylsulfanylbutyl)bicyclo[2.2.1]heptane-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC(CCCSC)CN

DOS

IR

Vibrations