Geometry & MOs

Info

ID:

442093

PubChem CID:

135249788

Reduced:

N3H43C52 (1)

Stoich.:

A3B43C52 (1)

Weight, g/mol:

621.278013

ΔHf, kcal/mol:

229.46

Dipole, Da:

3.16

IP(EA), eV:

 -8.25(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)pyridin-2-yl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=NC(C(N1C2=CN=CC(=C2)C3=CC4=C(C5=C(C4(C6=CC=CC=C6)C7=CC=CC=C7)C=C(C=C5)C8=CC9=CC=CC=C9C=C8)C1=CC=CC=C13)(C)C)(C)C

DOS

IR

Vibrations