Geometry & MOs

Info

ID:	419753
PubChem CID:	135108958
Reduced:	ClN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-46.38
Dipole, Da:	4.82
IP(EA), eV:	-9.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-ethoxyquinolin-2-yl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=CC2=N1)Cl)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC(=NO4)C

DOS

IR

Vibrations