Geometry & MOs

Info

ID:	31347
PubChem CID:	855604
Reduced:	SN2O2C18H24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-64.75
Dipole, Da:	4.86
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations