Geometry & MOs

Info

ID:	308930
PubChem CID:	126531886
Reduced:	ClFON6H22C24 (1)
Stoich.:	ABCD6E22F24 (1)
Weight, g/mol:	407.120068
ΔH_f, kcal/mol:	6.42
Dipole, Da:	2.04
IP(EA), eV:	-8.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(1R)-1-[2-fluoro-5-(4-methoxypyridin-3-yl)phenyl]ethyl]quinolin-4-amine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1F)NC2=C3C=C(C=CC3=NC=C2Cl)C4=CN=C(N=C4)NC(C)C(=O)N

DOS

IR

Vibrations