Geometry & MOs

Info

ID:	329606
PubChem CID:	126739012
Reduced:	FO2N5C28H34 (1)
Stoich.:	AB2C5D28E34 (1)
Weight, g/mol:	463.238353
ΔH_f, kcal/mol:	-80.06
Dipole, Da:	7.8
IP(EA), eV:	-8.93(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-5-fluoro-3-(oxazinan-2-yl)quinoline-8-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C[C@H](C1)N)C2=C(C=NC=C2)NC(=O)C3=C4C(=C(C=C3)F)C=C(C=N4)N5CCCC(CC5)O

DOS

IR

Vibrations