Geometry & MOs

Info

ID:	274093
PubChem CID:	103806989
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-15.26
Dipole, Da:	3.44
IP(EA), eV:	-8.77(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CNCC2=C1C=CC(=C2)NC(=O)C3=NNC(=O)C=C3

DOS

IR

Vibrations