Geometry & MOs

Info

ID:	80711
PubChem CID:	49836252
Reduced:	O2C11H12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	286.87682
ΔH_f, kcal/mol:	-136.66
Dipole, Da:	3.43
IP(EA), eV:	-9.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dibromo-2-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

CCC(=O)OCC(=C(C1=CC=CC=C1)C2=CC=CC=C2)COC(=O)CC

DOS

IR

Vibrations