Geometry & MOs

Info

ID:	379857
PubChem CID:	134465079
Reduced:	OF3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	426.253436
ΔH_f, kcal/mol:	-126.12
Dipole, Da:	4.38
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,8-trifluoro-3-methyl-7-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)biphenylene

Drug info:

PubChemData

Smile

CCCCCC1CCC(OC1)C2=C(C3=C4C(=C3C=C2)C=C(C(=C4F)F)C)F

DOS

IR

Vibrations