Geometry & MOs

Info

ID:	156619
PubChem CID:	56371378
Reduced:	O4N5C25H29 (1)
Stoich.:	A4B5C25D29 (1)
Weight, g/mol:	382.091334
ΔH_f, kcal/mol:	-48.58
Dipole, Da:	5.99
IP(EA), eV:	-8.43(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-])C(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations