Geometry & MOs

Info

ID:	133740
PubChem CID:	51585218
Reduced:	N6C18H29 (1)
Stoich.:	A6B18C29 (1)
Weight, g/mol:	288.243973
ΔH_f, kcal/mol:	67.17
Dipole, Da:	1.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769350
Charge, e:	1

Chem-info

IUPAC name:

[1-(2-phenylethyl)piperidin-4-yl]-piperidin-1-ylazanium

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CN(N=N2)C[C@@H]3CCCN(C3)CC4=[NH+]C=CN4

DOS

IR

Vibrations