Geometry & MOs

Info

ID:

224704

PubChem CID:

85346989

Reduced:

FePH23C28 (1)

Stoich.:

ABC23D28 (1)

Weight, g/mol:

446.157682

ΔHf, kcal/mol:

291.17

Dipole, Da:

4.93

IP(EA), eV:

 -7.16(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3a,7,9-trihydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-propan-2-yloxy-1,4,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2P(C3=CC=CC=C3)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations