Geometry & MOs

Info

ID:	57587
PubChem CID:	22425604
Reduced:	ON2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	473.169919
ΔH_f, kcal/mol:	1.16
Dipole, Da:	2.38
IP(EA), eV:	-8.84(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-[6-[(4-methylphenyl)carbamoyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN3C(=NNC3=O)C=C2

DOS

IR

Vibrations