Geometry & MOs

Info

ID:	183851
PubChem CID:	77081378
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	289.15904
ΔH_f, kcal/mol:	42.02
Dipole, Da:	5.96
IP(EA), eV:	-8.93(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-1-propan-2-ylpyrazole

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@H](C1)NC2=O)CC3=C(N=CC=C3)N

DOS

IR

Vibrations