Geometry & MOs

Info

ID:	393447
PubChem CID:	135020618
Reduced:	BrO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	438.0678
ΔH_f, kcal/mol:	-89.3
Dipole, Da:	4.22
IP(EA), eV:	-8.58(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations