Geometry & MOs

Info

ID:	379824
PubChem CID:	134464991
Reduced:	F3C26H31 (1)
Stoich.:	A3B26C31 (1)
Weight, g/mol:	402.21705
ΔH_f, kcal/mol:	-102.76
Dipole, Da:	4.16
IP(EA), eV:	-8.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC3=C4C=CC(=C(C4=C3C(=C2F)F)F)CCC

DOS

IR

Vibrations