Geometry & MOs

Info

ID:	333662
PubChem CID:	127252214
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	352.169939
ΔH_f, kcal/mol:	-45.94
Dipole, Da:	5.09
IP(EA), eV:	-9.09(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[5-[(4-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=CC=N2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations