Geometry & MOs

Info

ID:	156717
PubChem CID:	56371890
Reduced:	OF2N4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	470.206639
ΔH_f, kcal/mol:	-97.83
Dipole, Da:	5.1
IP(EA), eV:	-8.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC(C)C3=C(C=CC(=C3)F)N4CCN(CC4)C

DOS

IR

Vibrations