Geometry & MOs

Info

ID:

316339

PubChem CID:

126630733

Reduced:

N5H61C85 (1)

Stoich.:

A5B61C85 (1)

Weight, g/mol:

2251.838396

ΔHf, kcal/mol:

488.65

Dipole, Da:

4.23

IP(EA), eV:

 -7.93(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[4,6-bis[3-[1-(9-phenylcarbazol-1-yl)-8-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(9-phenylcarbazol-1-yl)-8-(9-phenylcarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)C5=CC=CC=C5N4C6=CC=C(C=C6)C7=CC(=NC(=N7)C8=CC=C(C=C8)N9C1=CC=CC=C1C1=C9C2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C1=C(C=C2)C2=CC=CC=C2C1(C)C)C

DOS

IR

Vibrations