Geometry & MOs

Info

ID:	393331
PubChem CID:	135020178
Reduced:	BrO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	406.04159
ΔH_f, kcal/mol:	-84.15
Dipole, Da:	5.1
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-(2-bromo-3,4,5-trimethoxyphenyl)-3-hydroxyprop-1-enyl]benzaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations