Geometry & MOs

Info

ID:	332568
PubChem CID:	127250854
Reduced:	FSO3N5C21H24 (1)
Stoich.:	ABC3D5E21F24 (1)
Weight, g/mol:	429.156767
ΔH_f, kcal/mol:	-79.78
Dipole, Da:	6.11
IP(EA), eV:	-9.02(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1-ethylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CSC(=N2)N)C3=NNC(=C3)CCOC4=CC=CC=C4F

DOS

IR

Vibrations