Geometry & MOs

Info

ID:	413721
PubChem CID:	135086671
Reduced:	OC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	398.136553
ΔH_f, kcal/mol:	-77.52
Dipole, Da:	3.65
IP(EA), eV:	-8.58(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-acetyloxy-3-benzoyloxy-2-methyloxan-4-yl) benzoate

Drug info:

PubChemData

Smile

C[C@@]1(CCC2=C3CCCC(C3=CC(=C2C1=O)OC)(C)C)C=C

DOS

IR

Vibrations