Geometry & MOs

Info

ID:	372020
PubChem CID:	131286678
Reduced:	BrCl2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	270.9858
ΔH_f, kcal/mol:	-16.74
Dipole, Da:	1.26
IP(EA), eV:	-9.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-iodo-2-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCCCl)Cl)CBr

DOS

IR

Vibrations