Geometry & MOs

Info

ID:	333731
PubChem CID:	127252283
Reduced:	F3O3N4C20H25 (1)
Stoich.:	A3B3C4D20E25 (1)
Weight, g/mol:	409.216555
ΔH_f, kcal/mol:	-222.55
Dipole, Da:	5.94
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CCOC(C1)C2=NNC(=C2)CCOC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations