Geometry & MOs

Info

ID:	389997
PubChem CID:	134996501
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	307.88706
ΔH_f, kcal/mol:	18.24
Dipole, Da:	2.51
IP(EA), eV:	-8.82(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3,4-dibromo-2-ethenyl-8-oxabicyclo[3.2.1]octa-3,6-dien-2-ol

Drug info:

PubChemData

Smile

CC1([C@@H]2[C@H]1[C@H](C=CC2)OC=C=C)C

DOS

IR

Vibrations