Geometry & MOs

Info

ID:	31351
PubChem CID:	855610
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-64.56
Dipole, Da:	5.08
IP(EA), eV:	-8.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=C(N=C2C=CC(=CC2=C1)OC)SCC(=O)NC3CCCC3

DOS

IR

Vibrations