Geometry & MOs

Info

ID:	312012
PubChem CID:	126600903
Reduced:	F3O4N5H20C24 (1)
Stoich.:	A3B4C5D20E24 (1)
Weight, g/mol:	282.010246
ΔH_f, kcal/mol:	-130.83
Dipole, Da:	1.14
IP(EA), eV:	-9.18(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,2,3,3-pentafluoro-1-(1,2,2,3,3-pentafluoropropoxy)propane

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1F)/C=C/C(=O)N2C[C@@H]3CN(C=C3C2)C(=O)C4=CC5=NNN=C5C=C4)F)OC)F

DOS

IR

Vibrations