Geometry & MOs

Info

ID:	12243
PubChem CID:	133454
Reduced:	OC15H26 (1)
Stoich.:	AB15C26 (1)
Weight, g/mol:	222.198365
ΔH_f, kcal/mol:	-94.06
Dipole, Da:	2.15
IP(EA), eV:	-10.0(2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2aS,4aR,8R)-2,2,4a,8-tetramethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-ol

Drug info:

PubChemData

Smile

C[C@]12CCC[C@@](C13CC([C@@H]3CC2)(C)C)(C)O

DOS

IR

Vibrations