Geometry & MOs

Info

ID:	237189
PubChem CID:	92717805
Reduced:	BrNO4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	140.131349
ΔH_f, kcal/mol:	-137.86
Dipole, Da:	7.09
IP(EA), eV:	-9.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5S)-2-methyl-2-azabicyclo[2.2.2]octan-5-amine

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC=C(C=C1)NC(=O)C(C)C)OC(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations