Geometry & MOs

Info

ID:	403059
PubChem CID:	135058561
Reduced:	BrOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	326.22458
ΔH_f, kcal/mol:	11.8
Dipole, Da:	8.81
IP(EA), eV:	-10.1(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-butyl-3-hept-2-ynoyl-2-methylspiro[4.5]deca-6,9-dien-8-one

Drug info:

PubChemData

Smile

C[C@H]1CC2(C[C@H]1C(=O)C#C)C=C(C(=O)C(=C2)Br)Br

DOS

IR

Vibrations