Geometry & MOs

Info

ID:	129093
PubChem CID:	51069827
Reduced:	FN3O4H22C27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	433.18017
ΔH_f, kcal/mol:	-29.63
Dipole, Da:	4.59
IP(EA), eV:	-9.19(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(3-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-propylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=CC=CC=C2)CN(CC3=CC=CO3)C(=O)C4=CC=CO4)OC5=CC(=CC=C5)F

DOS

IR

Vibrations