Geometry & MOs

Info

ID:	424402
PubChem CID:	135122561
Reduced:	F3N3O4C18H22 (1)
Stoich.:	A3B3C4D18E22 (1)
Weight, g/mol:	483.203717
ΔH_f, kcal/mol:	-261.09
Dipole, Da:	3.09
IP(EA), eV:	-8.75(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyridin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide

Drug info:

PubChemData

Smile

CCOC(COC1=CN=C(N=C1)N(C)C2=CC=C(C=C2)OC(F)(F)F)OCC

DOS

IR

Vibrations