Geometry & MOs

Info

ID:	178960
PubChem CID:	76407984
Reduced:	F2O2N5H17C18 (1)
Stoich.:	A2B2C5D17E18 (1)
Weight, g/mol:	369.191323
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	2.76
IP(EA), eV:	-9.6(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(5-oxo-1,2,4-triazolidin-3-yl)ethylamino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1ON=C2C3=CC(=C(C=C3)F)F)C(=O)C(CC4=CN=CN4)N

DOS

IR

Vibrations