Geometry & MOs

Info

ID:

442096

PubChem CID:

135249795

Reduced:

N3H43C52 (1)

Stoich.:

A3B43C52 (1)

Weight, g/mol:

564.220164

ΔHf, kcal/mol:

186.21

Dipole, Da:

1.48

IP(EA), eV:

 -8.32(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(C(N1C2=NC=C(C=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