Geometry & MOs

Info

ID:

324739

PubChem CID:

126678247

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

716.293997

ΔHf, kcal/mol:

257.44

Dipole, Da:

5.46

IP(EA), eV:

 -8.02(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-carbazol-9-yl-5-[2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=C5C8=C(C=C7)N(C9=CC=CC=C98)C1=CC=C(C=C1)C1=CC=CC=C1)C1=C(C=C6)OC2=CC=CC=C21

DOS

IR

Vibrations