Geometry & MOs

Info

ID:	125287
PubChem CID:	50918747
Reduced:	O4C11H16 (1)
Stoich.:	A4B11C16 (1)
Weight, g/mol:	322.105253
ΔH_f, kcal/mol:	-179.44
Dipole, Da:	4.04
IP(EA), eV:	-10.27(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4S,6R,9S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] 4-hydroxybenzoate

Drug info:

PubChemData

Smile

COC1([C@@H]2CCC[C@H]1C(=O)CC2=O)OC

DOS

IR

Vibrations