Geometry & MOs

Info

ID:	393332
PubChem CID:	135020179
Reduced:	BrO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	457.95513
ΔH_f, kcal/mol:	-120.36
Dipole, Da:	4.34
IP(EA), eV:	-8.92(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-bromo-4,5-dimethoxyphenyl)-3-(2-bromo-4-methoxyphenyl)prop-2-en-1-ol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C(/C=C/C2=CC=CC=C2C=O)O)Br)OC)OC

DOS

IR

Vibrations