Geometry & MOs

Info

ID:

402470

PubChem CID:

135056112

Reduced:

O5H28C49 (1)

Stoich.:

A5B28C49 (1)

Weight, g/mol:

332.162374

ΔHf, kcal/mol:

43.37

Dipole, Da:

1.72

IP(EA), eV:

 -8.42(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-methoxy-2-methyl-5,10,17-trioxatetracyclo[9.7.2.03,7.08,19]icosa-1,3(7),8(19)-trien-4-one

Drug info:

PubChemData

Smile

CC1=C2C(=C3C4=C5C(=C(C(=C4C(=O)C3=C1C6=CC=CC=C6)C7=CC=CC=C7)C)C(=O)OC8=C5C9=CC=CC=C9C=C8)C1=C(C=CC3=CC=CC=C31)OC2=O

DOS

IR

Vibrations