Geometry & MOs

Info

ID:

323364

PubChem CID:

126674559

Reduced:

ON4H32C47 (1)

Stoich.:

AB4C32D47 (1)

Weight, g/mol:

684.288912

ΔHf, kcal/mol:

200.55

Dipole, Da:

6.05

IP(EA), eV:

 -7.84(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[3-(8a-methyl-9-phenyl-4bH-carbazol-2-yl)-4b-methyl-8aH-carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CC1CC(=CC2=C1N(C3=CC=CC=C32)C4=CC=CC(=C4)C5=NC=NC6=C5OC7=CC=CC=C76)C8=CC9=C(C=C8)C1=CC=CC=C1N9C1=CC=CC=C1

DOS

IR

Vibrations