Geometry & MOs

Info

ID:	2114
PubChem CID:	5856
Reduced:	OC11H15 (2)
Stoich.:	AB11C15 (2)
Weight, g/mol:	326.22458
ΔH_f, kcal/mol:	-34.24
Dipole, Da:	2.43
IP(EA), eV:	-10.24(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,7R)-2,7-diethynyl-8a,10a-dimethyl-1,3,3a,3b,4,5,5a,6,8,8b,9,10-dodecahydroindeno[5,4-e]indene-2,7-diol

Drug info:

PubChemData

Smile

CC12CCC3C(C1C[C@](C2)(C#C)O)CCC4C3(C[C@](C4)(C#C)O)C

DOS

IR

Vibrations