Geometry & MOs

Info

ID:	379854
PubChem CID:	134465064
Reduced:	ClF2C24H27 (1)
Stoich.:	AB2C24D27 (1)
Weight, g/mol:	384.206485
ΔH_f, kcal/mol:	-51.94
Dipole, Da:	3.9
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations