Geometry & MOs

Info

ID:	133753
PubChem CID:	51586017
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-17.1
Dipole, Da:	4.22
IP(EA), eV:	-8.79(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4N=C3)C

DOS

IR

Vibrations