Geometry & MOs

Info

ID:

329032

PubChem CID:

126730657

Reduced:

NH11C14 (4)

Stoich.:

AB11C14 (4)

Weight, g/mol:

696.325297

ΔHf, kcal/mol:

220.38

Dipole, Da:

1.9

IP(EA), eV:

 -7.75(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=NC(=C2)C3=CC=C(C=C3)C4=C(C=C(C(=C4)C)N5C6=C(C=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C95)C)C1=CC=CC=C1C

DOS

IR

Vibrations