Geometry & MOs

Info

ID:	186735
PubChem CID:	77476436
Reduced:	ZnO11C12H22 (1)
Stoich.:	AB11C12D22 (1)
Weight, g/mol:	579.230013
ΔH_f, kcal/mol:	-489.84
Dipole, Da:	4.53
IP(EA), eV:	-8.2(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-[1-[2-fluoro-4-[2-(4-hydroxybutan-2-yloxy)phenyl]benzoyl]piperidin-4-yl]-3,3-dimethyl-4H-1,5-naphthyridin-2-one

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O.[Zn]

DOS

IR

Vibrations