Geometry & MOs

Info

ID:	273887
PubChem CID:	103805646
Reduced:	ClION2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	-7.26
Dipole, Da:	3.59
IP(EA), eV:	-8.69(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCNCC1)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations