Geometry & MOs

Info

ID:

442172

PubChem CID:

135250270

Reduced:

ON2H19C27 (2)

Stoich.:

AB2C19D27 (2)

Weight, g/mol:

830.362077

ΔHf, kcal/mol:

167.18

Dipole, Da:

1.75

IP(EA), eV:

 -7.99(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(=N1)C2=CC=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)N(C8=C7C=C(C=C8)C9=CC=C(C=C9)C1=NCCO1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations