Geometry & MOs

Info

ID:	379852
PubChem CID:	134465061
Reduced:	F2C9H10 (3)
Stoich.:	A2B9C10 (3)
Weight, g/mol:	416.196315
ΔH_f, kcal/mol:	-263.68
Dipole, Da:	5.82
IP(EA), eV:	-8.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1,7,8-trifluoro-6-pentylbiphenylen-2-yl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCC1=CC2=C3C=CC(=C(C3=C2C(=C1F)F)F)C4CCC(CC4)CCCC(F)(F)F

DOS

IR

Vibrations