Geometry & MOs

Info

ID:	127492
PubChem CID:	51004212
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	188.068473
ΔH_f, kcal/mol:	-34.45
Dipole, Da:	1.65
IP(EA), eV:	-8.47(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,5S,6R)-6-hydroxy-5-(methoxymethoxy)-7-oxabicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1)C([C@]2(C3=CC=CC=C3N(C)C)O)(C)C

DOS

IR

Vibrations