Geometry & MOs

Info

ID:	406138
PubChem CID:	135076619
Reduced:	BrO2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	316.109944
ΔH_f, kcal/mol:	15.01
Dipole, Da:	1.35
IP(EA), eV:	-8.25(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-2-phenylethenyl]phenoxy]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC(C2=CC=CC=C2)/C(=C\C3=CC=CC=C3)/Br

DOS

IR

Vibrations