Geometry & MOs

Info

ID:	153526
PubChem CID:	56312765
Reduced:	FN2O3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	393.185255
ΔH_f, kcal/mol:	-149.84
Dipole, Da:	6.54
IP(EA), eV:	-9.22(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-oxoacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)N2CCCC2C(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations