Geometry & MOs

Info

ID:	127554
PubChem CID:	51005941
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	117.48
Dipole, Da:	4.45
IP(EA), eV:	-8.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5S,6S)-2,2-dimethoxy-1,5-dimethyl-6-phenylmethoxy-7-oxabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CN1C[C@H]2C[C@@H]1CN2C3=NN=C(C=C3)C#CC4=COC=C4

DOS

IR

Vibrations