Geometry & MOs

Info

ID:	137189
PubChem CID:	52167872
Reduced:	ClO2N4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-63.33
Dipole, Da:	1.93
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-ethylanilino)-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)NCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations