Geometry & MOs

Info

ID:	31233
PubChem CID:	855292
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-91.32
Dipole, Da:	3.83
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC=CO1)CC2=CC3=CC(=CC(=C3NC2=O)C)C

DOS

IR

Vibrations