Geometry & MOs

Info

ID:	129081
PubChem CID:	51069496
Reduced:	FO2N3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	489.206385
ΔH_f, kcal/mol:	-14.83
Dipole, Da:	2.62
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1CN(C2CC2)C(=O)C3CCC3)OC4=CC(=CC=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations