Geometry & MOs

Info

ID:	229789
PubChem CID:	87569041
Reduced:	NO6C28H31 (1)
Stoich.:	AB6C28D31 (1)
Weight, g/mol:	291.89214
ΔH_f, kcal/mol:	-168.42
Dipole, Da:	3.91
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dibromoethenyl)-4-methylphenol

Drug info:

PubChemData

Smile

COC(CNCC(COC1=CC=C(C=C1)/C=C(/C2=CC=CC=C2)\C(=O)OC)O)OC3=CC=CC=C3

DOS

IR

Vibrations