Geometry & MOs

Info

ID:	156405
PubChem CID:	56370484
Reduced:	O3N4H22C24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	409.98261
ΔH_f, kcal/mol:	-13.59
Dipole, Da:	12.66
IP(EA), eV:	-8.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC3=C(CCC3)C=C2)C)C(=O)COC(=O)C4=CN5C=NN=C5C=C4

DOS

IR

Vibrations