Geometry & MOs

Info

ID:	379841
PubChem CID:	134465038
Reduced:	O2F3H25C26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	432.227615
ΔH_f, kcal/mol:	-120.14
Dipole, Da:	6.01
IP(EA), eV:	-8.65(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pentyl-5-[(3,4,5-trifluoro-6-propylbiphenylen-2-yl)oxymethyl]oxane

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)COC2=CC3=C4C=CC(=C(C4=C3C(=C2F)F)F)OCC

DOS

IR

Vibrations