Geometry & MOs

Info

ID:	332473
PubChem CID:	127250759
Reduced:	O2F3N5C22H24 (1)
Stoich.:	A2B3C5D22E24 (1)
Weight, g/mol:	417.181919
ΔH_f, kcal/mol:	-159.56
Dipole, Da:	3.37
IP(EA), eV:	-8.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)C(F)(F)F)C

DOS

IR

Vibrations