Geometry & MOs

Info

ID:	422544
PubChem CID:	135118016
Reduced:	N2S2O4C13H20 (1)
Stoich.:	A2B2C4D13E20 (1)
Weight, g/mol:	325.215413
ΔH_f, kcal/mol:	-150.38
Dipole, Da:	6.47
IP(EA), eV:	-9.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations