Geometry & MOs

Info

ID:	418894
PubChem CID:	135107087
Reduced:	FNSO3C16H22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	314.154289
ΔH_f, kcal/mol:	-156.79
Dipole, Da:	4.96
IP(EA), eV:	-9.43(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8-fluoroquinolin-2-yl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)S(=O)(=O)C3=CC=CC(=C3)F

DOS

IR

Vibrations