Geometry & MOs

Info

ID:	318361
PubChem CID:	126650772
Reduced:	N2F3O3H23C25 (1)
Stoich.:	A2B3C3D23E25 (1)
Weight, g/mol:	462.147011
ΔH_f, kcal/mol:	-205.53
Dipole, Da:	7.32
IP(EA), eV:	-7.99(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-4-methyl-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenyl]-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

C1C2=C(C=CN1CCC(=O)O)NC(C=C2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations