Geometry & MOs

Info

ID:	269548
PubChem CID:	103617924
Reduced:	SO2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	206.08777
ΔH_f, kcal/mol:	-88.62
Dipole, Da:	3.04
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pentylsulfanylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCCSCC1=CC=C(C=C1)C(=O)OC

DOS

IR

Vibrations