Geometry & MOs

Info

ID:	393444
PubChem CID:	135020615
Reduced:	BrO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	348.03611
ΔH_f, kcal/mol:	-24.81
Dipole, Da:	3.38
IP(EA), eV:	-8.82(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations