Geometry & MOs

Info

ID:	137202
PubChem CID:	52168871
Reduced:	ClO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	1.81
IP(EA), eV:	-8.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-bis(2-methylprop-2-enyl)-6-(2-phenylethylamino)-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC2=NN(C(=O)N(C2=O)CC(=C)C)CC(=C)C

DOS

IR

Vibrations