Geometry & MOs

Info

ID:	379813
PubChem CID:	134464969
Reduced:	BrOF2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	432.227615
ΔH_f, kcal/mol:	-141.58
Dipole, Da:	3.81
IP(EA), eV:	-9.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxy-1,2,8-trifluoro-3-[(4-pentylcyclohexyl)methoxy]biphenylene

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)COC2=C(C(=CC(=C2)Br)F)F

DOS

IR

Vibrations