Geometry & MOs

Info

ID:

329022

PubChem CID:

126730546

Reduced:

NH11C15 (4)

Stoich.:

AB11C15 (4)

Weight, g/mol:

834.372247

ΔHf, kcal/mol:

259.67

Dipole, Da:

1.56

IP(EA), eV:

 -7.79(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=CC=C(C=C2)C3=CC=C(C=C3)N4C5=C(C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C84)C)C9=NC(=NC(=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations