Geometry & MOs

Info

ID:	191956
PubChem CID:	78208061
Reduced:	SO2N3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-30.66
Dipole, Da:	3.47
IP(EA), eV:	-9.34(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6,7-dimethyl-2-oxo-3H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC2C(=NC(=NC2=O)CC(=O)N)S1

DOS

IR

Vibrations