Geometry & MOs

Info

ID:	332595
PubChem CID:	127250881
Reduced:	ClSO2N4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	431.196883
ΔH_f, kcal/mol:	-0.87
Dipole, Da:	1.7
IP(EA), eV:	-8.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations