Geometry & MOs

Info

ID:

317166

PubChem CID:

126632704

Reduced:

ON8H60C98 (1)

Stoich.:

AB8C60D98 (1)

Weight, g/mol:

1935.738348

ΔHf, kcal/mol:

464.25

Dipole, Da:

4.55

IP(EA), eV:

 -7.88(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=NC(=NC3=C1C=C(C=C3)N1C3=CC=CC=C3C3=CC4=C(C=C31)OC1=CC=CC=C14)N1C3=C(C=C(C=C3)N(C3=CC=CC=C3)C3=CC=CC=C3)C3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations