Geometry & MOs

Info

ID:	380338
PubChem CID:	134970749
Reduced:	BO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	2.67
IP(EA), eV:	-6.96(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(1S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

[B][C@@H]1C[C@@]2(CCC[C@@H]2O)C(C1O)O

DOS

IR

Vibrations