Geometry & MOs

Info

ID:	332447
PubChem CID:	127250733
Reduced:	F3O3N5H20C21 (1)
Stoich.:	A3B3C5D20E21 (1)
Weight, g/mol:	347.16452
ΔH_f, kcal/mol:	-169.51
Dipole, Da:	3.12
IP(EA), eV:	-9.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=NC=CN=C2)C3=NNC(=C3)CCOC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations