Geometry & MOs

Info

ID:	382651
PubChem CID:	134973929
Reduced:	O6C19H26 (1)
Stoich.:	A6B19C26 (1)
Weight, g/mol:	334.178024
ΔH_f, kcal/mol:	-260.51
Dipole, Da:	2.0
IP(EA), eV:	-9.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2R,3R)-1,2-dihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-3H-naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)C2=CC=CC=C2[C@@]([C@]1(C(=O)OCOC)O)(CCC(C)C)O

DOS

IR

Vibrations