Geometry & MOs

Info

ID:	137193
PubChem CID:	52167876
Reduced:	ClO3N4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	2.48
IP(EA), eV:	-8.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-ethoxyanilino)-2,4-di(propan-2-yl)-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=NN(C1=O)C(C)C)NC2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations