Geometry & MOs

Info

ID:

393392

PubChem CID:

135020365

Reduced:

OH31C36 (2)

Stoich.:

AB31C36 (2)

Weight, g/mol:

416.125988

ΔHf, kcal/mol:

88.48

Dipole, Da:

3.73

IP(EA), eV:

 -8.12(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-6-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]-8-methylchromen-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=C(C=C(C=C6C(C)C)C7=C8C=CC=CC8=CC9=CC=CC=C97)C(C)C)O)C(C)C)C1=C2C=CC=CC2=CC2=CC=CC=C21

DOS

IR

Vibrations