Geometry & MOs

Info

ID:	147044
PubChem CID:	53786520
Reduced:	O7C12H20 (1)
Stoich.:	A7B12C20 (1)
Weight, g/mol:	219.110673
ΔH_f, kcal/mol:	-332.41
Dipole, Da:	1.27
IP(EA), eV:	-10.17(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7R,8R,8aS)-7-amino-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,8-diol

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)C2C([C@@H]3C(O2)OC(O3)(C)C)(O)O)C

DOS

IR

Vibrations