Geometry & MOs

Info

ID:	269549
PubChem CID:	103617925
Reduced:	SN2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	220.067034
ΔH_f, kcal/mol:	40.76
Dipole, Da:	3.89
IP(EA), eV:	-9.01(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-2-ylmethylsulfanyl)pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CCCCCSC1=NC=C(C=C1)C#N

DOS

IR

Vibrations