Geometry & MOs

Info

ID:	165380
PubChem CID:	74542500
Reduced:	ClFN4O5C19H26 (1)
Stoich.:	ABC4D5E19F26 (1)
Weight, g/mol:	428.117722
ΔH_f, kcal/mol:	-250.44
Dipole, Da:	4.5
IP(EA), eV:	-9.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CCOC)C(=O)COC2=CC(=C(C=C2)F)Cl)N

DOS

IR

Vibrations