Geometry & MOs

Info

ID:	391765
PubChem CID:	135009327
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	333.90271
ΔH_f, kcal/mol:	-105.08
Dipole, Da:	4.2
IP(EA), eV:	-10.15(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8S)-10,11-dibromo-12-oxatricyclo[6.3.1.02,7]dodeca-4,10-dien-9-one

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)CC(=O)C1(C)C

DOS

IR

Vibrations