Geometry & MOs

Info

ID:	169748
PubChem CID:	75143325
Reduced:	F3N4O5H23C26 (1)
Stoich.:	A3B4C5D23E26 (1)
Weight, g/mol:	494.177704
ΔH_f, kcal/mol:	-253.6
Dipole, Da:	4.7
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2C(=O)N(C(=O)C(N2)C(=O)NC3=CC=CC=C3)CC4=CC(=CC=C4)C(F)(F)F)OC

DOS

IR

Vibrations