Geometry & MOs

Info

ID:	332432
PubChem CID:	127250718
Reduced:	F2O2N3C22H23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	399.175833
ΔH_f, kcal/mol:	-88.83
Dipole, Da:	2.44
IP(EA), eV:	-8.79(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=C(C=C2)F)C3=NNC(=C3)CCOC4=CC=C(C=C4)F

DOS

IR

Vibrations