Geometry & MOs

Info

ID:	368484
PubChem CID:	127329102
Reduced:	ClN2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	353.129694
ΔH_f, kcal/mol:	-169.16
Dipole, Da:	4.45
IP(EA), eV:	-8.72(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-yloxy)ethanone

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC(=C(C=C2)Cl)NC(=O)COC3CCOCC3

DOS

IR

Vibrations