Geometry & MOs

Info

ID:	140300
PubChem CID:	52679041
Reduced:	ClFN2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	328.114254
ΔH_f, kcal/mol:	13.53
Dipole, Da:	2.65
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[(5-chloroquinolin-8-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)F)N(C)CC2=C3C(=C(C=C2)Cl)C=CC=N3

DOS

IR

Vibrations