Geometry & MOs

Info

ID:	50150
PubChem CID:	12012657
Reduced:	O3C22H22 (1)
Stoich.:	A3B22C22 (1)
Weight, g/mol:	362.188195
ΔH_f, kcal/mol:	-92.54
Dipole, Da:	5.74
IP(EA), eV:	-9.37(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)-3-phenyl-1,5-dioxaspiro[5.6]dodec-2-en-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=C(C(=O)OC3(O2)CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations