Geometry & MOs

Info

ID:	308932
PubChem CID:	126531890
Reduced:	ClF2O2N5H22C26 (1)
Stoich.:	AB2C2D5E22F26 (1)
Weight, g/mol:	395.98405
ΔH_f, kcal/mol:	-75.27
Dipole, Da:	8.45
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-chloro-5-fluoro-N-[(1S)-1-(2-fluorophenyl)ethyl]quinolin-4-amine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1F)NC2=C(C=NC3=CC(=C(C=C32)C4=CN=C(N=C4)N5CCC(C5)C(=O)O)F)Cl

DOS

IR

Vibrations