Geometry & MOs

Info

ID:	195248
PubChem CID:	78664951
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	418.116973
ΔH_f, kcal/mol:	-81.21
Dipole, Da:	3.11
IP(EA), eV:	-8.5(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-chloro-4-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)O

DOS

IR

Vibrations