Geometry & MOs

Info

ID:

174247

PubChem CID:

75744228

Reduced:

N3C13H20 (1)

Stoich.:

A3B13C20 (1)

Weight, g/mol:

208.144987

ΔHf, kcal/mol:

63.41

Dipole, Da:

3.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751467

Charge, e:

 1

Chem-info

IUPAC name:

(2-morpholin-4-yl-2-pyridin-4-ylethyl)azanium

Drug info:

PubChemData

Smile

C1C[NH+]2CCC1C(C2)NCC3=CN=CC=C3

DOS

IR

Vibrations