Geometry & MOs

Info

ID:	422555
PubChem CID:	135118028
Reduced:	NS2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	316.109089
ΔH_f, kcal/mol:	-79.95
Dipole, Da:	4.83
IP(EA), eV:	-8.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloroquinolin-2-yl)methyl-(1H-imidazol-2-ylmethyl)amino]ethanol

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)SCC(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations