Geometry & MOs

Info

ID:	308860
PubChem CID:	126531652
Reduced:	ClFN4H16C23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	422.97855
ΔH_f, kcal/mol:	82.0
Dipole, Da:	4.69
IP(EA), eV:	-8.78(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(6-bromo-3-chloroquinolin-4-yl)amino]ethyl]-5-fluoropyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)C2=CN=CC(=C2)C#N)F)NC3=C(C=NC4=CC=CC=C43)Cl

DOS

IR

Vibrations