Geometry & MOs

Info

ID:	17360
PubChem CID:	494082
Reduced:	O4C9H9 (2)
Stoich.:	A4B9C9 (2)
Weight, g/mol:	362.100168
ΔH_f, kcal/mol:	-253.85
Dipole, Da:	2.26
IP(EA), eV:	-10.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,6-diacetyloxy-3,8-dioxatricyclo[5.1.0.02,4]octan-4-yl)methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)OC1C2C(O2)C3C(C1OC(=O)C)(O3)COC(=O)C4=CC=CC=C4

DOS

IR

Vibrations