Geometry & MOs

Info

ID:

317031

PubChem CID:

126632304

Reduced:

N5H73C103 (1)

Stoich.:

A5B73C103 (1)

Weight, g/mol:

1430.605602

ΔHf, kcal/mol:

398.33

Dipole, Da:

2.95

IP(EA), eV:

 -8.18(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=NC(=CC(=N7)C8=CC(=CC=C8)N9C2=C(C=C(C=C2)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC=CC=C29)C2=CC(=CC=C2)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