Geometry & MOs

Info

ID:

442100

PubChem CID:

135249804

Reduced:

N3H41C51 (1)

Stoich.:

A3B41C51 (1)

Weight, g/mol:

565.215412

ΔHf, kcal/mol:

187.33

Dipole, Da:

3.79

IP(EA), eV:

 -8.13(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=CC(=C2)C3=CC4=C(C5=C(N4C6=CC=CC=C6)C=C(C=C5)C7=CC8=CC=CC=C8C=C7)C9=CC=CC=C93)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations