Geometry & MOs

Info

ID:	205051
PubChem CID:	80048388
Reduced:	ClN6C13H19 (1)
Stoich.:	AB6C13D19 (1)
Weight, g/mol:	261.195346
ΔH_f, kcal/mol:	68.67
Dipole, Da:	1.69
IP(EA), eV:	-8.49(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-diethyl-N-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC2=NN3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations