Geometry & MOs

Info

ID:	146893
PubChem CID:	53766461
Reduced:	NO6C19H19 (1)
Stoich.:	AB6C19D19 (1)
Weight, g/mol:	362.11282
ΔH_f, kcal/mol:	-181.45
Dipole, Da:	1.32
IP(EA), eV:	-9.22(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-butoxy-1,1,2,2,3,3,4,4-octafluorobutoxy)butan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C(=O)OC)N2C(CC2=O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations