Geometry & MOs

Info

ID:	331206
PubChem CID:	127248613
Reduced:	ClF2O2N3C23H24 (1)
Stoich.:	AB2C2D3E23F24 (1)
Weight, g/mol:	441.254003
ΔH_f, kcal/mol:	-92.25
Dipole, Da:	1.45
IP(EA), eV:	-9.03(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CC(=C(C=C3)Cl)F)CCOC4=CC=CC=C4F

DOS

IR

Vibrations