Geometry & MOs

Info

ID:	272348
PubChem CID:	103740084
Reduced:	NSC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	219.071785
ΔH_f, kcal/mol:	38.84
Dipole, Da:	3.86
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxolan-2-ylmethylsulfanyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)SC1=CC=CC(=C1)C#N

DOS

IR

Vibrations