Geometry & MOs

Info

ID:	169880
PubChem CID:	75160918
Reduced:	F3N3O3C13H14 (1)
Stoich.:	A3B3C3D13E14 (1)
Weight, g/mol:	297.088019
ΔH_f, kcal/mol:	-247.47
Dipole, Da:	6.46
IP(EA), eV:	-10.0(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-chloro-4-methylphenyl)-5-oxo-1,2,4-triazinan-6-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2NC(=O)C(NN2)CCC(=O)O

DOS

IR

Vibrations