Geometry & MOs

Info

ID:

317053

PubChem CID:

126632349

Reduced:

N3H34C48 (2)

Stoich.:

A3B34C48 (2)

Weight, g/mol:

1518.636902

ΔHf, kcal/mol:

388.85

Dipole, Da:

1.28

IP(EA), eV:

 -8.15(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(9,9-dimethylfluoren-3-yl)-9-[2-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-4-[7-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-9,9-diphenylfluoren-2-yl]quinazolin-6-yl]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC(=C6)C7=CC(=CC=C7)C8=NC(=NC(=N8)N9C2=C(C=C(C=C2)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC=CC=C29)N2C3=C(C=C(C=C3)C3=CC4=C(C=C3)C(C3=CC=CC=C34)(C)C)C3=CC=CC=C32)C2=CC=CC=C21)C

DOS

IR

Vibrations