Geometry & MOs

Info

ID:

316986

PubChem CID:

126632208

Reduced:

N5H73C103 (1)

Stoich.:

A5B73C103 (1)

Weight, g/mol:

1227.523997

ΔHf, kcal/mol:

398.52

Dipole, Da:

2.48

IP(EA), eV:

 -8.28(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9,9-dimethylfluoren-3-yl)-9-[4-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[3-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=C(C=C6)C7=CC(=NC(=N7)C8=CC=C(C=C8)N9C2=CC=CC=C2C2=C9C=C(C=C2)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC(=CC=C2)N2C3=CC=CC=C3C3=C2C=C(C=C3)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC=CC=C21)C

DOS

IR

Vibrations