Geometry & MOs

Info

ID:	399711
PubChem CID:	135041971
Reduced:	ON3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	82.09
Dipole, Da:	3.86
IP(EA), eV:	-9.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C#N)C(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations