Geometry & MOs

Info

ID:	137179
PubChem CID:	52167082
Reduced:	BrO2N6H13C14 (1)
Stoich.:	AB2C6D13E14 (1)
Weight, g/mol:	266.057053
ΔH_f, kcal/mol:	14.02
Dipole, Da:	1.94
IP(EA), eV:	-8.75(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloroanilino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)NC3=NNC(=O)NC3=O)C)Br

DOS

IR

Vibrations