Geometry & MOs

Info

ID:	229640
PubChem CID:	87568278
Reduced:	IN2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	295.989511
ΔH_f, kcal/mol:	133.02
Dipole, Da:	14.57
IP(EA), eV:	-7.56(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,2,3,3,4,4-heptafluoro-4-(1,2,2-trifluoroethenoxy)butan-1-ol

Drug info:

PubChemData

Smile

C[N+]1=CN(C=C1)C2C(C3C4=CC=CC=C4C2C5=CC=CC=C35)N6C=C[N+](=C6)C.[I-].[I-]

DOS

IR

Vibrations