Geometry & MOs

Info

ID:	409854
PubChem CID:	135082641
Reduced:	O4H40C61 (1)
Stoich.:	A4B40C61 (1)
Weight, g/mol:	527.110137
ΔH_f, kcal/mol:	248.51
Dipole, Da:	2.05
IP(EA), eV:	-8.45(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(O[C@H]([C@@H](O2)C3(C4=C(C5=CC=CC=C5C=C4)C6=C3C=CC7=CC=CC=C76)O)C8(C9=C(C1=CC=CC=C1C=C9)C1=C8C=CC2=CC=CC=C21)O)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations