Geometry & MOs

Info

ID:	186028
PubChem CID:	77381731
Reduced:	O2Cl3N4H13C17 (1)
Stoich.:	A2B3C4D13E17 (1)
Weight, g/mol:	249.074956
ΔH_f, kcal/mol:	42.66
Dipole, Da:	5.14
IP(EA), eV:	-9.17(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,5-dioxo-1,2,4-triazinan-2-yl)phenyl]acetic acid

Drug info:

PubChemData

Smile

C1C(=O)NC(=O)N(N1)C2=CC(=CC(=C2)Cl)Cl.C1=CC(=CC=C1CC#N)Cl

DOS

IR

Vibrations