Geometry & MOs

Info

ID:	395407
PubChem CID:	135025387
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	346.141638
ΔH_f, kcal/mol:	-127.46
Dipole, Da:	4.25
IP(EA), eV:	-9.79(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4S,6S,8R,9R)-8-(4-methoxyphenyl)-7,12,13-trioxatricyclo[7.3.1.01,6]tridec-2-en-4-yl] acetate

Drug info:

PubChemData

Smile

CC(C)ONC(=O)C1=CC=CC2=C1[C@H](COC2)O

DOS

IR

Vibrations