Geometry & MOs

Info

ID:	191498
PubChem CID:	78154642
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	304.117155
ΔH_f, kcal/mol:	-107.85
Dipole, Da:	8.81
IP(EA), eV:	-8.61(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dioxo-1,2,4-triazinan-6-yl)-N-phenacylpropanamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NN2)N3CC(CC3=O)C(=O)NC4=C(C=CC(=C4)Cl)O

DOS

IR

Vibrations