Geometry & MOs

Info

ID:	169738
PubChem CID:	75142915
Reduced:	F2O3N4H20C24 (1)
Stoich.:	A2B3C4D20E24 (1)
Weight, g/mol:	434.156575
ΔH_f, kcal/mol:	-117.84
Dipole, Da:	3.75
IP(EA), eV:	-9.33(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(3-methylphenyl)-3,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)C(NN(C2=O)C3=CC=CC=C3F)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations