Geometry & MOs

Info

ID:	379176
PubChem CID:	134356466
Reduced:	F3N3O3C20H22 (1)
Stoich.:	A3B3C3D20E22 (1)
Weight, g/mol:	174.178379
ΔH_f, kcal/mol:	-197.68
Dipole, Da:	5.03
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-3,6-dimethylnonane

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1F)OCC(=O)[C@H](CCCCCN)NC(=O)C2=CC=NC=C2)F)F

DOS

IR

Vibrations