Geometry & MOs

Info

ID:

377459

PubChem CID:

134223512

Reduced:

O2N5H65C105 (1)

Stoich.:

A2B5C65D105 (1)

Weight, g/mol:

920.351512

ΔHf, kcal/mol:

394.98

Dipole, Da:

1.87

IP(EA), eV:

 -7.97(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)C8=C(N7C9=CC=CC=C9)C=C1C(=C8)C2=C(O1)C(=CC=C2)C1=CC2=C(C=C1)N(C1=C2C=CC2=C1C1=C(N2C2=CC=CC=C2)C=CC(=C1)C1=CC2=C(C=C1)C1=C(N2C2=CC=CC=C2)C=C2C(=C1)C1=CC=CC=C1O2)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations