Geometry & MOs

Info

ID:

323409

PubChem CID:

126674724

Reduced:

ON4H40C47 (1)

Stoich.:

AB4C40D47 (1)

Weight, g/mol:

744.288912

ΔHf, kcal/mol:

144.89

Dipole, Da:

7.58

IP(EA), eV:

 -7.79(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[3-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CC1CC=CC2=C1N(C3=C2C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=NC=NC9=C8OC1=C9C=CCC1)C1CCCCC1

DOS

IR

Vibrations