Geometry & MOs

Info

ID:	168941
PubChem CID:	75043515
Reduced:	Cl2O2N3C30H37 (1)
Stoich.:	A2B2C3D30E37 (1)
Weight, g/mol:	473.188148
ΔH_f, kcal/mol:	-52.98
Dipole, Da:	7.3
IP(EA), eV:	-8.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-chloro-4-fluorophenoxy)ethylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol

Drug info:

PubChemData

Smile

C1CN(CCC1CCNC(=O)C=CC2=CC=CC=C2)CCCCCNC(=O)C=CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations