Geometry & MOs

Info

ID:	389248
PubChem CID:	134991826
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	3.24
IP(EA), eV:	-8.82(2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-2,8a-dimethoxy-7-methyl-5,8-dihydro-4aH-naphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1CCN(C1)C[C@@H]2CCCO2

DOS

IR

Vibrations