Geometry & MOs

Info

ID:	13025
PubChem CID:	220032
Reduced:	NSC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	177.061221
ΔH_f, kcal/mol:	39.25
Dipole, Da:	4.27
IP(EA), eV:	-8.93(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)sulfanylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCC#N

DOS

IR

Vibrations