Geometry & MOs

Info

ID:

336824

PubChem CID:

127255831

Reduced:

PO4H37C60 (1)

Stoich.:

AB4C37D60 (1)

Weight, g/mol:

712.274247

ΔHf, kcal/mol:

32.41

Dipole, Da:

2.63

IP(EA), eV:

 -8.08(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-(3-phenanthren-9-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenanthrene;phosphoric acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC6=CC=CC=C6C7=C5OP(=O)(OC8=C7C9=CC=CC=C9C=C8C1=C2C=CC=CC2=C(C2=CC=CC=C21)C1=CC=CC=C1)O

DOS

IR

Vibrations