Geometry & MOs

Info

ID:

379026

PubChem CID:

134228923

Reduced:

SN3H65C71 (1)

Stoich.:

AB3C65D71 (1)

Weight, g/mol:

863.387563

ΔHf, kcal/mol:

319.36

Dipole, Da:

1.17

IP(EA), eV:

 -7.96(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-carbazol-9-yl-5-(3,4-didehydrocarbazol-9-yl)-N-[4-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]phenyl]-N-[4-[(3E,5E)-6-methylocta-1,3,5-trien-3-yl]phenyl]aniline

Drug info:

PubChemData

Smile

C/C=C\C=C/C=C/C(=C/C=C(\C)/N(C1=CC=CC=C1)C2=CC(=CC(=C2)N(C)C3=CC=C(C=C3)C4=CC=CC=C4)N(C5=CC=C(C=C5)C6=CC=CC=C6)/C(=C/C=C(\C=C)/C(=C\7/C(=C\C=C)/C8=CC=CC=C8S7)/C)/C)/C=C

DOS

IR

Vibrations