Geometry & MOs

Info

ID:	379830
PubChem CID:	134465010
Reduced:	ClOF2C25H29 (1)
Stoich.:	ABC2D25E29 (1)
Weight, g/mol:	412.181413
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	4.07
IP(EA), eV:	-8.83(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,8-trifluoro-3-(3-fluoro-4-pentylphenyl)-7-propylbiphenylene

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC3=C4C=CC(=C(C4=C3C(=C2Cl)F)F)OCC

DOS

IR

Vibrations