Geometry & MOs

Info

ID:	276954
PubChem CID:	103825955
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	-37.82
Dipole, Da:	4.33
IP(EA), eV:	-8.52(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylbutylsulfinylmethyl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(C)S(=O)CC1=CC(=C(C=C1)OC)C#N

DOS

IR

Vibrations