Geometry & MOs

Info

ID:	332430
PubChem CID:	127250716
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	417.166411
ΔH_f, kcal/mol:	-82.37
Dipole, Da:	4.01
IP(EA), eV:	-8.88(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-fluorophenyl)methyl]morpholine

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OCCC2=CC(=NN2)C3CN(CCO3)CC4=CC=CC=C4F

DOS

IR

Vibrations