Geometry & MOs

Info

ID:	186813
PubChem CID:	77489467
Reduced:	ClO2F3N6H10C13 (1)
Stoich.:	AB2C3D6E10F13 (1)
Weight, g/mol:	626.346821
ΔH_f, kcal/mol:	-138.77
Dipole, Da:	3.85
IP(EA), eV:	-9.53(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[8-[[2-hydroxy-2-(8-hydroxy-2-oxo-4aH-quinolin-5-yl)ethyl]amino]octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C2=CC(=C(C=C2)Cl)C3=NNN=N3)C(F)(F)F

DOS

IR

Vibrations