Geometry & MOs

Info

ID:	424389
PubChem CID:	135122513
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	484.198966
ΔH_f, kcal/mol:	-115.29
Dipole, Da:	4.64
IP(EA), eV:	-9.35(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)CC(C)COCC2=CC=CC=C2)CC3(CCOCC3)C=O)C=O

DOS

IR

Vibrations