Geometry & MOs

Info

ID:

442153

PubChem CID:

135250131

Reduced:

O2N5H35C42 (1)

Stoich.:

A2B5C35D42 (1)

Weight, g/mol:

585.216475

ΔHf, kcal/mol:

88.88

Dipole, Da:

2.27

IP(EA), eV:

 -8.22(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN=C(O1)C2=CN=C(C=C2)C3=CC4=C(C=C3)C5=C(N4C6=CC=CC=C6)C=C(C7=CC=CC=C75)C8=NC=C(C=C8)C9=NCC(O9)(C)C)C

DOS

IR

Vibrations