Geometry & MOs

Info

ID:

319508

PubChem CID:

126656428

Reduced:

ON2H44C57 (1)

Stoich.:

AB2C44D57 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

168.36

Dipole, Da:

1.72

IP(EA), eV:

 -7.64(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC1CC2=C(C=C1)N(C3=C2C=C(C=C3)C4=CC5=C(C6=C4C7=CC=CC=C7N6C8=CC9=C(C=C8)C1=CC=CC=C1C9(C)C)OC1(C5C=CC=C1)C)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations