Geometry & MOs

Info

ID:

318686

PubChem CID:

126652708

Reduced:

ON2H62C70 (1)

Stoich.:

AB2C62D70 (1)

Weight, g/mol:

631.208219

ΔHf, kcal/mol:

162.96

Dipole, Da:

2.11

IP(EA), eV:

 -7.9(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[(1Z)-buta-1,3-dienyl]-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)-3-methylindol-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C(C=C6C7=CC=CC=C7C8=CC=CC=C8C9=C(C6=C45)C1=CC=CC=C1C=C9)N(C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations