Geometry & MOs

Info

ID:	245553
PubChem CID:	99453852
Reduced:	FN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	417.121273
ΔH_f, kcal/mol:	-82.83
Dipole, Da:	6.31
IP(EA), eV:	-8.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2C3=CC=CC=C3F)C)OC

DOS

IR

Vibrations