Geometry & MOs

Info

ID:

327776

PubChem CID:

126691042

Reduced:

NH43C58 (1)

Stoich.:

AB43C58 (1)

Weight, g/mol:

772.29122

ΔHf, kcal/mol:

214.28

Dipole, Da:

1.7

IP(EA), eV:

 -8.1(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(2,3-dimethyl-1-benzothiophen-7-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine

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=CC(=C6)C7=C8CC9=CC=CC=C9C8=CC=C7)C2=CC=CC=C2C1C1=CC=CC=C1

DOS

IR

Vibrations