Geometry & MOs

Info

ID:	383888
PubChem CID:	134975921
Reduced:	NCl2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	253.092521
ΔH_f, kcal/mol:	69.09
Dipole, Da:	3.59
IP(EA), eV:	-9.95(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-2-phenylpropanenitrile

Drug info:

PubChemData

Smile

C=CCC(C#N)(C1=CC=CC=C1)/C(=C\Cl)/Cl

DOS

IR

Vibrations