Geometry & MOs

Info

ID:	386855
PubChem CID:	134983155
Reduced:	BrO6C37H39 (1)
Stoich.:	AB6C37D39 (1)
Weight, g/mol:	408.187801
ΔH_f, kcal/mol:	-136.13
Dipole, Da:	5.95
IP(EA), eV:	-9.29(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-phenanthren-1-ylbut-2-en-2-yl]phenanthrene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O/C=C/CBr)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations