Geometry & MOs

Info

ID:	127882
PubChem CID:	51021126
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-67.46
Dipole, Da:	5.78
IP(EA), eV:	-8.86(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3R,6S,7R,8R,9S)-11,12-dioxatetracyclo[7.2.1.13,6.02,7]tridec-4-en-8-yl] acetate

Drug info:

PubChemData

Smile

CC1=C2C[C@H](CCC3=C[C@H]([C@H](C(=C1)O2)C(=C)C)OC3=O)C(=C)C

DOS

IR

Vibrations