Geometry & MOs

Info

ID:

329025

PubChem CID:

126730601

Reduced:

N4H46C61 (1)

Stoich.:

A4B46C61 (1)

Weight, g/mol:

730.309647

ΔHf, kcal/mol:

247.99

Dipole, Da:

1.87

IP(EA), eV:

 -7.73(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=C(C=C(C=C6)N7C8=C(C=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C17)C

DOS

IR

Vibrations