Geometry & MOs

Info

ID:	408325
PubChem CID:	135081091
Reduced:	NO5C10H17 (1)
Stoich.:	AB5C10D17 (1)
Weight, g/mol:	250.047738
ΔH_f, kcal/mol:	-218.84
Dipole, Da:	4.98
IP(EA), eV:	-9.96(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydroxy-2,2-dimethyl-[1,3]dioxino[4,5-b][1]benzofuran-4-one

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@H](O1)[C@@H]([C@H](C(=O)O)N)O)C=C)C

DOS

IR

Vibrations