Geometry & MOs

Info

ID:	137192
PubChem CID:	52167875
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	352.130218
ΔH_f, kcal/mol:	-60.7
Dipole, Da:	2.3
IP(EA), eV:	-8.17(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-chloro-2-methoxyanilino)-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=CC3=C(CCC3)C=C2

DOS

IR

Vibrations