Geometry & MOs

Info

ID:	383106
PubChem CID:	134974649
Reduced:	N3O4C11H19 (1)
Stoich.:	A3B4C11D19 (1)
Weight, g/mol:	250.084124
ΔH_f, kcal/mol:	-145.81
Dipole, Da:	5.95
IP(EA), eV:	-10.14(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,7S,8R,9R)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CC1(CO)CO)O)N2C=C(N=N2)CCO

DOS

IR

Vibrations