Geometry & MOs

Info

ID:	57586
PubChem CID:	22425599
Reduced:	N5O5H23C24 (1)
Stoich.:	A5B5C23D24 (1)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	-90.61
Dipole, Da:	6.26
IP(EA), eV:	-8.43(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)N3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations