Geometry & MOs

Info

ID:	133859
PubChem CID:	51602574
Reduced:	ON3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	209.189198
ΔH_f, kcal/mol:	56.48
Dipole, Da:	3.28
IP(EA), eV:	-8.41(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

diethyl-[2-(pyridin-4-ylmethylazaniumyl)ethyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)[C@@H](C=N2)CCNC[C@@H](CN3C4=CC=CC=C4C5=CC=CC=C53)O

DOS

IR

Vibrations