Geometry & MOs

Info

ID:

328754

PubChem CID:

126727337

Reduced:

NC39H53 (1)

Stoich.:

AB39C53 (1)

Weight, g/mol:

775.392649

ΔHf, kcal/mol:

18.59

Dipole, Da:

3.23

IP(EA), eV:

 -7.71(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-methylphenyl)-N-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-9-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-4a,9a-dihydrocarbazol-4-amine

Drug info:

PubChemData

Smile

CCCCCCC1(C2CC(=CC=C2[C@H]3C1=CC=CC3)N(C4=CCC(C=C4)C)C5=CC=C(C=C5)C)CCCCCC

DOS

IR

Vibrations