Geometry & MOs

Info

ID:	308945
PubChem CID:	126532391
Reduced:	ClFON2H16C18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	481.148094
ΔH_f, kcal/mol:	-25.87
Dipole, Da:	5.28
IP(EA), eV:	-8.6(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[3-chloro-7-fluoro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]pyrazin-2-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)OC)F)NC2=C(C=NC3=CC=CC=C32)Cl

DOS

IR

Vibrations