Geometry & MOs

Info

ID:

442181

PubChem CID:

135250306

Reduced:

N4H31C36 (2)

Stoich.:

A4B31C36 (2)

Weight, g/mol:

832.352575

ΔHf, kcal/mol:

288.63

Dipole, Da:

1.86

IP(EA), eV:

 -7.96(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-3-yl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]pyridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=CC(=N2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C=C(C=C8)C9=NC(=CC=C9)C1=NC(C(N1C1=CC=CC=C1)(C)C)(C)C)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations