Geometry & MOs

Info

ID:	379850
PubChem CID:	134465056
Reduced:	F3H21C22 (1)
Stoich.:	A3B21C22 (1)
Weight, g/mol:	400.237785
ΔH_f, kcal/mol:	-57.63
Dipole, Da:	3.84
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,8-trifluoro-3-pentyl-7-(4-propylcyclohexyl)biphenylene

Drug info:

PubChemData

Smile

C/C=C/C1CCC(CC1)C2=C(C3=C4C(=C3C=C2)C=C(C(=C4F)F)C)F

DOS

IR

Vibrations