Geometry & MOs

Info

ID:	379849
PubChem CID:	134465052
Reduced:	F3C26H31 (1)
Stoich.:	A3B26C31 (1)
Weight, g/mol:	342.159535
ΔH_f, kcal/mol:	-103.52
Dipole, Da:	4.05
IP(EA), eV:	-8.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,8-trifluoro-3-methyl-7-[4-[(E)-prop-1-enyl]cyclohexyl]biphenylene

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=C(C3=C4C(=C3C=C2)C=C(C(=C4F)F)CCC)F

DOS

IR

Vibrations