Geometry & MOs

Info

ID:	5901
PubChem CID:	13984
Reduced:	O2C12H17 (2)
Stoich.:	A2B12C17 (2)
Weight, g/mol:	386.24571
ΔH_f, kcal/mol:	-183.41
Dipole, Da:	2.93
IP(EA), eV:	-10.29(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,6S)-2-acetyloxy-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CCC2C1(CCC3C2CCC4C3(C[C@](C4)(C#C)OC(=O)C)C)C

DOS

IR

Vibrations