Geometry & MOs

Info

ID:	51676
PubChem CID:	12014388
Reduced:	NO3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	-71.94
Dipole, Da:	3.05
IP(EA), eV:	-9.66(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CO)N2C(=O)C=CC2=O

DOS

IR

Vibrations