Geometry & MOs

Info

ID:

174235

PubChem CID:

75743977

Reduced:

N4C10H19 (1)

Stoich.:

A4B10C19 (1)

Weight, g/mol:

192.150073

ΔHf, kcal/mol:

58.0

Dipole, Da:

1.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752112

Charge, e:

 1

Chem-info

IUPAC name:

1-(1-pyridin-4-ylethyl)piperazin-4-ium

Drug info:

PubChemData

Smile

CC12C[NH+]3CCN(C1)CC(C3)C2=NN

DOS

IR

Vibrations