Geometry & MOs

Info

ID:	308938
PubChem CID:	126532232
Reduced:	ClOF2N5H22C26 (1)
Stoich.:	ABC2D5E22F26 (1)
Weight, g/mol:	523.183811
ΔH_f, kcal/mol:	-26.49
Dipole, Da:	3.1
IP(EA), eV:	-9.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-chloro-7-fluoro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]phenyl]-2-morpholin-4-ylethanol

Drug info:

PubChemData

Smile

CC1=C(C(=C2C=C(C=C(C2=N1)F)C3=CN=C(N=C3)C(C)(C)O)NC(C)C4=C(C=CC(=C4)C#N)F)Cl

DOS

IR

Vibrations