Geometry & MOs

Info

ID:

317172

PubChem CID:

126632723

Reduced:

N7H53C75 (1)

Stoich.:

A7B53C75 (1)

Weight, g/mol:

1050.440996

ΔHf, kcal/mol:

343.81

Dipole, Da:

3.44

IP(EA), eV:

 -8.34(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)pyrimidin-4-yl]-N,9-diphenylcarbazol-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=NC(=NC(=N7)N8C9=C(C1=CC=CC=C18)C1=C(C=C9)C2=CC=CC=C2C1(C)C)N(C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C

DOS

IR

Vibrations