Geometry & MOs

Info

ID:	398905
PubChem CID:	135036177
Reduced:	NC15H19 (1)
Stoich.:	AB15C19 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	3.03
Dipole, Da:	1.27
IP(EA), eV:	-7.91(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8R)-5,5,10,10-tetramethyl-2,9-dioxatricyclo[6.3.1.04,12]dodec-4(12)-en-1-ol

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](C2=C1C(=C(C3=C2NC=C3)C)C)C

DOS

IR

Vibrations