Geometry & MOs

Info

ID:	274027
PubChem CID:	103806581
Reduced:	ClION2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	254.174276
ΔH_f, kcal/mol:	-17.42
Dipole, Da:	4.1
IP(EA), eV:	-8.97(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCC1CCNC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations