Geometry & MOs

Info

ID:	127495
PubChem CID:	51004215
Reduced:	NO6C16H21 (1)
Stoich.:	AB6C16D21 (1)
Weight, g/mol:	417.185942
ΔH_f, kcal/mol:	-225.38
Dipole, Da:	1.37
IP(EA), eV:	-10.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-8-benzyl-3-[(3-chlorophenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2C=C[C@@H]1/C(=C/C(=O)OC)/C2C(=O)OC

DOS

IR

Vibrations