Geometry & MOs

Info

ID:	137188
PubChem CID:	52167871
Reduced:	ClO2N4C15H19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	336.135304
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	1.41
IP(EA), eV:	-8.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chlorophenyl)methylamino]-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)Cl

DOS

IR

Vibrations