Geometry & MOs

Info

ID:	274097
PubChem CID:	103806999
Reduced:	ClION2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	18.09
Dipole, Da:	3.76
IP(EA), eV:	-8.76(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CNCC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C=C3)I)Cl

DOS

IR

Vibrations