Geometry & MOs

Info

ID:	48838
PubChem CID:	11528385
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	156.078644
ΔH_f, kcal/mol:	-52.96
Dipole, Da:	2.74
IP(EA), eV:	-9.33(2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S,5R)-3-hydroxy-4-methyl-6-oxabicyclo[3.2.1]octan-7-one

Drug info:

PubChemData

Smile

CC1([C@@H]2C[C@H]1[C@@H]([C@@H](C2)N)O)C

DOS

IR

Vibrations