Geometry & MOs

Info

ID:	276956
PubChem CID:	103825960
Reduced:	NOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	6.73
Dipole, Da:	1.86
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylbutylsulfonylmethyl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC2=NC=CS2)C

DOS

IR

Vibrations