Geometry & MOs

Info

ID:	372729
PubChem CID:	131303394
Reduced:	BrCl2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	195.0354
ΔH_f, kcal/mol:	-14.97
Dipole, Da:	3.94
IP(EA), eV:	-9.85(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxyphenyl)sulfinylpropanenitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1CCl)Br)CCCCl

DOS

IR

Vibrations