Geometry & MOs

Info

ID:	308903
PubChem CID:	126531822
Reduced:	ClFON5H25C29 (1)
Stoich.:	ABCD5E25F29 (1)
Weight, g/mol:	513.173166
ΔH_f, kcal/mol:	31.32
Dipole, Da:	3.67
IP(EA), eV:	-9.09(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-chloro-4-[1-(2-fluoro-5-pyridin-3-ylphenyl)ethylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)C2=CN=CC=C2)F)NC3=C4C=C(C=CC4=NC=C3Cl)C5=CN=C(N=C5)C(C)(C)O

DOS

IR

Vibrations