Geometry & MOs

Info

ID:

377647

PubChem CID:

134223711

Reduced:

ON2H38C57 (1)

Stoich.:

AB2C38D57 (1)

Weight, g/mol:

1428.517181

ΔHf, kcal/mol:

197.64

Dipole, Da:

1.75

IP(EA), eV:

 -7.98(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(12,12-dimethyl-5-phenylindeno[2,1-g]carbazol-3-yl)-9-[5,12-diphenyl-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)indolo[3,2-c]carbazol-8-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6C7=CC=CC=C7)C=CC(=C5)C8=CC9=C(C=C8)OC1=C9C=C2C3=CC=CC=C3N(C2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations