Geometry & MOs

Info

ID:	397725
PubChem CID:	135030624
Reduced:	BrO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	288.172545
ΔH_f, kcal/mol:	-94.06
Dipole, Da:	2.4
IP(EA), eV:	-9.56(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3,3-dimethyl-6-[(1S,6R)-1-methyl-3-oxabicyclo[4.1.0]heptan-6-yl]-2,4-dioxatricyclo[5.4.0.01,5]undeca-6,8-diene

Drug info:

PubChemData

Smile

CC(=C)COCCC#C[C@H]1[C@]2(CCCC=C2Br)OC(O1)(C)C

DOS

IR

Vibrations