Geometry & MOs

Info

ID:	397726
PubChem CID:	135030625
Reduced:	OC6H8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	382.07797
ΔH_f, kcal/mol:	-85.08
Dipole, Da:	2.54
IP(EA), eV:	-8.99(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(4S,5S)-6-bromo-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-yl]prop-2-ynoxymethyl]but-3-en-2-one

Drug info:

PubChemData

Smile

C[C@]12C[C@]1(CCOC2)C3=C4C=CCC[C@]45[C@H]3OC(O5)(C)C

DOS

IR

Vibrations