Geometry & MOs

Info

ID:	16665
PubChem CID:	474520
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-103.94
Dipole, Da:	5.55
IP(EA), eV:	-10.21(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4aR,5R,8aR,9aR)-8a-methyl-3-methylidenespiro[3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-5,2'-oxirane]-2-one

Drug info:

PubChemData

Smile

C[C@]12CCC[C@@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)C4=C)CO3

DOS

IR

Vibrations