Geometry & MOs

Info

ID:	393445
PubChem CID:	135020616
Reduced:	BrO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	408.05724
ΔH_f, kcal/mol:	-59.36
Dipole, Da:	4.42
IP(EA), eV:	-8.32(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations