Geometry & MOs

Info

ID:	139324
PubChem CID:	52510336
Reduced:	F2O2N3H13C17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	369.183913
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	5.21
IP(EA), eV:	-9.06(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(4-ethylpiperazin-4-ium-1-yl)-3-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)F)F)NC2=C(C3=C(C=C2)N=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations