Geometry & MOs

Info

ID:

327779

PubChem CID:

126691048

Reduced:

FNOH36C51 (1)

Stoich.:

ABCD36E51 (1)

Weight, g/mol:

760.29122

ΔHf, kcal/mol:

121.11

Dipole, Da:

2.71

IP(EA), eV:

 -8.0(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2,3-bis(ethenyl)-1-benzothiophen-7-yl]phenyl]-N-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-4-phenylaniline

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC7=C6OC8=CC=CC=C78)C9=CC=CC=C9C1C1=CC=C(C=C1)F

DOS

IR

Vibrations