Geometry & MOs

Info

ID:	126736
PubChem CID:	50975897
Reduced:	FN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	293.116427
ΔH_f, kcal/mol:	-51.83
Dipole, Da:	3.04
IP(EA), eV:	-9.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC(C1=NC(=NO1)CC2=CC=CC=C2F)OC

DOS

IR

Vibrations