Geometry & MOs

Info

ID:	308955
PubChem CID:	126532553
Reduced:	ON8H24C27 (1)
Stoich.:	AB8C24D27 (1)
Weight, g/mol:	519.194964
ΔH_f, kcal/mol:	194.6
Dipole, Da:	11.04
IP(EA), eV:	-8.71(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-[3-chloro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC=NC=C6

DOS

IR

Vibrations