Geometry & MOs

Info

ID:	332431
PubChem CID:	127250717
Reduced:	O2F3N3C22H22 (1)
Stoich.:	A2B3C3D22E22 (1)
Weight, g/mol:	399.175833
ΔH_f, kcal/mol:	-133.37
Dipole, Da:	1.73
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=CC=C2F)C3=NNC(=C3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations