Geometry & MOs

Info

ID:

379025

PubChem CID:

134228921

Reduced:

NH23C27 (1)

Stoich.:

AB23C27 (1)

Weight, g/mol:

991.48992

ΔHf, kcal/mol:

92.92

Dipole, Da:

2.01

IP(EA), eV:

 -8.1(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[(2E,4E,6E,8Z,10Z)-5-ethenyldodeca-2,4,6,8,10-pentaen-2-yl]-5-N-methyl-1-N-phenyl-3-N,5-N-bis(4-phenylphenyl)-3-N-[(2E,4E)-5-[(1Z)-1-[(3Z)-3-prop-2-enylidene-1-benzothiophen-2-ylidene]ethyl]hepta-2,4,6-trien-2-yl]benzene-1,3,5-triamine

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=CC=CC=C53

DOS

IR

Vibrations