Geometry & MOs

Info

ID:	121447
PubChem CID:	50768272
Reduced:	FSO4N5C23H24 (1)
Stoich.:	ABC4D5E23F24 (1)
Weight, g/mol:	439.189592
ΔH_f, kcal/mol:	-106.68
Dipole, Da:	3.3
IP(EA), eV:	-8.33(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=C(C=CC(=C2)F)N3C1=NN=C3SCC(=O)NC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations