Geometry & MOs

Info

ID:	12239
PubChem CID:	133409
Reduced:	O9C24H26 (1)
Stoich.:	A9B24C26 (1)
Weight, g/mol:	458.157682
ΔH_f, kcal/mol:	-364.16
Dipole, Da:	3.42
IP(EA), eV:	-8.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5,8-triacetyloxy-6-(5,5-dimethyloxolan-2-yl)naphthalen-1-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C2C(=CC(=C(C2=C(C=C1)OC(=O)C)OC(=O)C)C3CCC(O3)(C)C)OC(=O)C

DOS

IR

Vibrations