Geometry & MOs

Info

ID:	137180
PubChem CID:	52167401
Reduced:	ClO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-27.55
Dipole, Da:	1.27
IP(EA), eV:	-8.56(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diethyl-6-[3-(pyrazol-1-ylmethyl)anilino]-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CN1C(=O)C(=NN(C1=O)C)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations