Geometry & MOs

Info

ID:	308902
PubChem CID:	126531820
Reduced:	SN8H20C24 (1)
Stoich.:	AB8C20D24 (1)
Weight, g/mol:	513.173166
ΔH_f, kcal/mol:	232.04
Dipole, Da:	10.8
IP(EA), eV:	-8.53(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CSC=C6

DOS

IR

Vibrations