Geometry & MOs

Info

ID:

316331

PubChem CID:

126630677

Reduced:

N11H107C173 (1)

Stoich.:

A11B107C173 (1)

Weight, g/mol:

2149.791446

ΔHf, kcal/mol:

819.55

Dipole, Da:

3.12

IP(EA), eV:

 -7.93(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)C4=CC(=NC(=N4)N5C6=C(C=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=C5C=CC(=C1)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=CC(=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=C2C=C(C=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)C2=C1C=CC(=C2)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations