Geometry & MOs

Info

ID:	400104
PubChem CID:	135045460
Reduced:	BrO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-73.07
Dipole, Da:	4.08
IP(EA), eV:	-9.72(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S,9S)-2-[3-(1,3-dioxolan-2-yl)propyl]-6,9-dimethyltricyclo[7.2.1.01,6]dodeca-2,7-dien-4-one

Drug info:

PubChemData

Smile

C/C(=C\CCCCBr)/COC(=O)C1=CC=CC=C1

DOS

IR

Vibrations