Geometry & MOs

Info

ID:	28522
PubChem CID:	828103
Reduced:	NO3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	321.172879
ΔH_f, kcal/mol:	-49.25
Dipole, Da:	6.84
IP(EA), eV:	-8.63(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2,2-diphenylacetate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C1=C/C=C/3\C(=O)C4=CC=CC=C4OC3=O)C)C

DOS

IR

Vibrations