Geometry & MOs

Info

ID:

431490

PubChem CID:

135171571

Reduced:

PN6O6C23H39 (1)

Stoich.:

AB6C6D23E39 (1)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

-276.68

Dipole, Da:

3.93

IP(EA), eV:

 -8.74(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

CCCOC(=O)[C@H](C)NP(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)OCC[C@H](C)C(=O)OC(C)C

DOS

IR

Vibrations