Geometry & MOs

Info

ID:	236020
PubChem CID:	92711373
Reduced:	ClN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	401.114234
ΔH_f, kcal/mol:	-112.71
Dipole, Da:	5.56
IP(EA), eV:	-9.03(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-chlorophenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)[C@@H]1C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations