Geometry & MOs

Info

ID:	12496
PubChem CID:	138781
Reduced:	NSH7C8 (1)
Stoich.:	ABC7D8 (1)
Weight, g/mol:	149.02992
ΔH_f, kcal/mol:	55.23
Dipole, Da:	4.14
IP(EA), eV:	-8.95(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanylbenzonitrile

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1C#N

DOS

IR

Vibrations