Geometry & MOs

Info

ID:

430225

PubChem CID:

135170289

Reduced:

NH45C55 (1)

Stoich.:

AB45C55 (1)

Weight, g/mol:

543.2926

ΔHf, kcal/mol:

207.57

Dipole, Da:

1.43

IP(EA), eV:

 -7.93(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1E,3Z)-1-(4-ethenylphenyl)hexa-1,3,5-trienyl]-4-methyl-N-[4-[4-[(4-methylphenyl)methyl]phenyl]phenyl]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C)C5=CC=CC=C5C6=CC=C(C=C6)C=C)C7=CC=CC=C7C8=CC=C(C=C8)C=C

DOS

IR

Vibrations