Geometry & MOs

Info

ID:

442154

PubChem CID:

135250132

Reduced:

O2N5H27C38 (1)

Stoich.:

A2B5C27D38 (1)

Weight, g/mol:

641.279075

ΔHf, kcal/mol:

135.51

Dipole, Da:

3.64

IP(EA), eV:

 -8.19(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-2-yl]-7-phenylbenzo[c]carbazol-5-yl]pyridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

C1COC(=N1)C2=CC=CC(=N2)C3=CC4=C(C=C3)C5=C(N4C6=CC=CC=C6)C=C(C7=CC=CC=C75)C8=NC(=CC=C8)C9=NCCO9

DOS

IR

Vibrations