Geometry & MOs

Info

ID:

319526

PubChem CID:

126656534

Reduced:

ON5H43C59 (1)

Stoich.:

AB5C43D59 (1)

Weight, g/mol:

744.314064

ΔHf, kcal/mol:

251.71

Dipole, Da:

7.06

IP(EA), eV:

 -7.87(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1-methylcyclohexa-2,4-dien-1-yl)-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-5-yl)phenyl]-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

CC1CC=CC2=C1N(C3=C2C=CC(=C3)C4=C5C6=CC=CC=C6N(C5=C7C(=C4)C8=CC=CC=C8O7)C9=CC=CC(=C9)C1=NC(N(C(=N1)C1=CC=CC=C1)C)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations