Geometry & MOs

Info

ID:

329581

PubChem CID:

126738596

Reduced:

NH18C24 (2)

Stoich.:

AB18C24 (2)

Weight, g/mol:

682.334799

ΔHf, kcal/mol:

256.87

Dipole, Da:

3.09

IP(EA), eV:

 -7.76(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[6-methyl-3-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]-N-(4-methylphenyl)-N-triphenylen-1-ylcarbazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=CC=CC=C4N3C5=C6C=CC=CC6(CC=C5)C)C7=CC=CC8=C7C9=CC=CC=C9C1=CC=CC=C81

DOS

IR

Vibrations