Geometry & MOs

Info

ID:	216507
PubChem CID:	85086337
Reduced:	BrO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	274.02046
ΔH_f, kcal/mol:	-121.57
Dipole, Da:	3.17
IP(EA), eV:	-9.15(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2,2-dimethyl-3b,5,6,6a,7,7a-hexahydro-3aH-pentaleno[1,2-d][1,3]dioxol-4-one

Drug info:

PubChemData

Smile

CC1(OC2CC(=C(C(C2O1)C=C)Br)O)C

DOS

IR

Vibrations