Geometry & MOs

Info

ID:	167685
PubChem CID:	74858132
Reduced:	ClF3O3N4H20C22 (1)
Stoich.:	AB3C3D4E20F22 (1)
Weight, g/mol:	432.136446
ΔH_f, kcal/mol:	-208.82
Dipole, Da:	3.85
IP(EA), eV:	-9.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3,5-dioxo-N-propyl-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

C1CC1CNC(=O)C2C(=O)N(C(=O)N(N2)C3=CC=C(C=C3)C(F)(F)F)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations