Geometry & MOs

Info

ID:	5881
PubChem CID:	13951
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-90.08
Dipole, Da:	2.17
IP(EA), eV:	-10.13(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC3C(C1CC[C@@H]2O)CCC4C3(C[C@](C4)(C#C)O)C

DOS

IR

Vibrations