Geometry & MOs

Info

ID:	207099
PubChem CID:	80346395
Reduced:	ClN3H12C15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	240.066555
ΔH_f, kcal/mol:	75.42
Dipole, Da:	3.14
IP(EA), eV:	-8.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-chloropyridin-2-yl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)CNC3=C(C=CC=N3)Cl)N=CC=C2

DOS

IR

Vibrations