Geometry & MOs

Info

ID:	449217
PubChem CID:	135296903
Reduced:	ClO2F3N4H26C29 (1)
Stoich.:	AB2C3D4E26F29 (1)
Weight, g/mol:	453.229538
ΔH_f, kcal/mol:	-147.32
Dipole, Da:	5.26
IP(EA), eV:	-8.63(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-chloro-4-[1-[(3S)-1-ethylpiperidin-3-yl]ethylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1CN(CCC1CC(=O)O)C2=NC=C(C=C2)C3=CC4=C(C(=CN=C4C=C3)Cl)N[C@@H](C5=CC=CC=C5F)C(F)F

DOS

IR

Vibrations