Geometry & MOs

Info

ID:	323747
PubChem CID:	126675985
Reduced:	ClO2N3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	486.302449
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	3.37
IP(EA), eV:	-10.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(3-chlorocyclohexyl)methoxy]cyclohexyl]-3-fluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC2=NC(=NC=C2C1)Cl

DOS

IR

Vibrations