Geometry & MOs

Info

ID:	393448
PubChem CID:	135020619
Reduced:	BrO6C20H23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	378.04667
ΔH_f, kcal/mol:	-162.99
Dipole, Da:	3.53
IP(EA), eV:	-8.3(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2Br)OC)OC)OC)O)OC

DOS

IR

Vibrations