Geometry & MOs

Info

ID:	31015
PubChem CID:	854098
Reduced:	N2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	288.196354
ΔH_f, kcal/mol:	-6.5
Dipole, Da:	2.48
IP(EA), eV:	-7.89(0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-phenylbutanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1C)C(=CN2)C[C@H](C)N)C)C

DOS

IR

Vibrations