Geometry & MOs

Info

ID:	280171
PubChem CID:	103847327
Reduced:	NSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	263.098
ΔH_f, kcal/mol:	-114.38
Dipole, Da:	2.63
IP(EA), eV:	-9.16(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methyloxolan-3-yl)sulfanylethoxy]benzonitrile

Drug info:

PubChemData

Smile

CCC(C(=O)N)SC1CCOC1C

DOS

IR

Vibrations