Geometry & MOs

Info

ID:	137196
PubChem CID:	52167923
Reduced:	ON2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-77.29
Dipole, Da:	2.27
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-di(propan-2-yl)-6-(prop-2-enylamino)-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=NN(C1=O)C(C)C)NC

DOS

IR

Vibrations