Geometry & MOs

Info

ID:	379835
PubChem CID:	134465019
Reduced:	O2F3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	446.18575
ΔH_f, kcal/mol:	-160.09
Dipole, Da:	3.12
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxy-1,2,8-trifluoro-3-(6-pentylnaphthalen-2-yl)biphenylene

Drug info:

PubChemData

Smile

CCCCCC1CCC(OC1)C2=CC3=C4C=CC(=C(C4=C3C(=C2F)F)F)OCC

DOS

IR

Vibrations