Geometry & MOs

Info

ID:	427717
PubChem CID:	135161667
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	192.168957
ΔH_f, kcal/mol:	-88.27
Dipole, Da:	3.48
IP(EA), eV:	-8.99(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-1,8-difluoro-4,5-dimethylnonane

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H]1[C@H]2[C@@H]1OC3=C2C=C(C=C3)OC4=CC(=NC=C4)N

DOS

IR

Vibrations