Geometry & MOs

Info

ID:	331111
PubChem CID:	127248518
Reduced:	ClFO2N3C23H25 (1)
Stoich.:	ABC2D3E23F25 (1)
Weight, g/mol:	409.216555
ΔH_f, kcal/mol:	-46.25
Dipole, Da:	3.66
IP(EA), eV:	-8.82(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CC=CC=C3Cl)CCOC4=CC=C(C=C4)F

DOS

IR

Vibrations