Geometry & MOs

Info

ID:

296769

PubChem CID:

117591949

Reduced:

O7C28H32 (1)

Stoich.:

A7B28C32 (1)

Weight, g/mol:

742.252645

ΔHf, kcal/mol:

-223.27

Dipole, Da:

12.23

IP(EA), eV:

 -9.35(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,6-dimethoxy-7-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-8-one;19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CCCC=CC=CC1CC(C(C(=O)C1C=O)O)O.COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations