Geometry & MOs

Info

ID:	308872
PubChem CID:	126531711
Reduced:	ON9H25C27 (1)
Stoich.:	AB9C25D27 (1)
Weight, g/mol:	421.99453
ΔH_f, kcal/mol:	164.8
Dipole, Da:	3.68
IP(EA), eV:	-8.76(-2.39)
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-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5N6C=C(N=C6)C

DOS

IR

Vibrations