Geometry & MOs

Info

ID:	409516
PubChem CID:	135082298
Reduced:	NO6C10H13 (1)
Stoich.:	AB6C10D13 (1)
Weight, g/mol:	586.285719
ΔH_f, kcal/mol:	-209.66
Dipole, Da:	4.93
IP(EA), eV:	-9.3(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[difluoro-[4-[4-[1,1,2,2-tetrafluoro-2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene

Drug info:

PubChemData

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COC[C@@H]1[C@@H](C2C(O1)N(C(=O)O2)C=C=O)OC

DOS

IR

Vibrations