Geometry & MOs

Info

ID:	134278
PubChem CID:	51671721
Reduced:	ClON5C27H28 (1)
Stoich.:	ABC5D27E28 (1)
Weight, g/mol:	323.248724
ΔH_f, kcal/mol:	65.84
Dipole, Da:	5.03
IP(EA), eV:	-8.22(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-benzylpiperidin-4-yl)-[(2R)-4-phenylbutan-2-yl]azanium

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C[C@]3([C@H]4N2CCCC4)C(=NN(C3=O)CC5=CC=CC=C5Cl)C)C6=CC=CC=C6

DOS

IR

Vibrations