Geometry & MOs

Info

ID:	425983
PubChem CID:	135134272
Reduced:	FN7C26H28 (1)
Stoich.:	AB7C26D28 (1)
Weight, g/mol:	316.200257
ΔH_f, kcal/mol:	89.78
Dipole, Da:	7.7
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-4-[4-(4-fluorophenyl)-2,2,5-trimethylhexan-3-yl]benzene

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=CC=C2)C3=NC=C(C=N3)C4=CN(N=C4)[C@H]5C[C@@H]6CCCC(C5F)N6C

DOS

IR

Vibrations