Geometry & MOs

Info

ID:	31021
PubChem CID:	854115
Reduced:	O3H18C19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	244.193949
ΔH_f, kcal/mol:	-78.28
Dipole, Da:	7.02
IP(EA), eV:	-8.76(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2R)-1-phenylpropan-2-yl]-1-azabicyclo[2.2.2]octan-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OCC=C(C)C

DOS

IR

Vibrations