Geometry & MOs

Info

ID:	187521
PubChem CID:	77584073
Reduced:	ClON4C27H37 (1)
Stoich.:	ABC4D27E37 (1)
Weight, g/mol:	597.167638
ΔH_f, kcal/mol:	-61.56
Dipole, Da:	2.25
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;trihydrochloride

Drug info:

PubChemData

Smile

C1CCC2=NC3=C(C=CC(=C3)Cl)C(=C2C1)NCCCCCNC4CCCC5C4CCC(=O)N5

DOS

IR

Vibrations