Geometry & MOs

Info

ID:	162049
PubChem CID:	57393442
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	351.140135
ΔH_f, kcal/mol:	-136.19
Dipole, Da:	2.8
IP(EA), eV:	-9.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-[(E)-4-fluorobut-2-enyl]-8-azabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]2CC(C[C@@H]1N2CC(C3=CC(=CC=C3)O)O)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations