Geometry & MOs

Info

ID:	128037
PubChem CID:	51028168
Reduced:	OC11H16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	302.151809
ΔH_f, kcal/mol:	-18.53
Dipole, Da:	3.23
IP(EA), eV:	-9.86(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,9S,13R,14R)-14-acetyloxy-13-tricyclo[7.4.1.02,7]tetradeca-2,4,6-trienyl] acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H]1[C@@H]2C[C@H]([C@@H]1C=O)C=C2

DOS

IR

Vibrations