Geometry & MOs

Info

ID:	129021
PubChem CID:	51066767
Reduced:	FN3O3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	409.216555
ΔH_f, kcal/mol:	-62.21
Dipole, Da:	3.55
IP(EA), eV:	-8.99(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(3-fluorophenoxy)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-N-propylacetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=C1CN(C2CC2)C(=O)COC)OC3=CC(=CC=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations