Geometry & MOs

Info

ID:	415385
PubChem CID:	135088379
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	-164.37
Dipole, Da:	3.37
IP(EA), eV:	-9.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(2-ethyl-1,2,4-triazol-3-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N2CCC(CC2)OC3=CC=NC=C3

DOS

IR

Vibrations