Geometry & MOs

Info

ID:	265599
PubChem CID:	103532611
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	290.082205
ΔH_f, kcal/mol:	-108.29
Dipole, Da:	2.87
IP(EA), eV:	-9.38(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloroquinolin-4-yl)-(3-methoxypyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1CCN(C1)S(=O)(=O)CC2=CC=CC(=C2)CN

DOS

IR

Vibrations