Geometry & MOs

Info

ID:	415098
PubChem CID:	135088084
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	260.138559
ΔH_f, kcal/mol:	-107.11
Dipole, Da:	3.45
IP(EA), eV:	-9.28(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[2-(1,2,4-triazol-1-yl)ethylamino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NCC(=O)N1C[C@H]([C@H](C1)O)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations