Geometry & MOs

Info

ID:	343227
PubChem CID:	127266400
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	318.073988
ΔH_f, kcal/mol:	-175.71
Dipole, Da:	2.23
IP(EA), eV:	-9.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5-tetrafluoro-N-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CO)C(C1=CN=CC=C1)O

DOS

IR

Vibrations