Geometry & MOs

Info

ID:	50149
PubChem CID:	12012656
Reduced:	BrO3H19C24 (1)
Stoich.:	AB3C19D24 (1)
Weight, g/mol:	334.156895
ΔH_f, kcal/mol:	-46.18
Dipole, Da:	5.37
IP(EA), eV:	-9.47(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,5-dimethylphenyl)-8-phenyl-6,10-dioxaspiro[4.5]dec-7-en-9-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=C(C(=O)OC(O2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations