Geometry & MOs

Info

ID:	13023
PubChem CID:	220027
Reduced:	NSC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	177.061221
ΔH_f, kcal/mol:	44.8
Dipole, Da:	3.29
IP(EA), eV:	-9.02(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanylpropanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations