Geometry & MOs

Info

ID:	137187
PubChem CID:	52167870
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	322.119654
ΔH_f, kcal/mol:	-99.41
Dipole, Da:	3.43
IP(EA), eV:	-8.02(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloroanilino)-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=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations