Geometry & MOs

Info

ID:	329603
PubChem CID:	126738938
Reduced:	BrO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	475.274739
ΔH_f, kcal/mol:	-58.3
Dipole, Da:	6.22
IP(EA), eV:	-9.4(-1.39)
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-(3-methylpiperidin-1-yl)quinoline-8-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](CC(C1)NC(=O)O)C2=C(C=NC=C2)NC(=O)C3=CC=CC4=CC(=CN=C43)Br

DOS

IR

Vibrations