Geometry & MOs

Info

ID:

431598

PubChem CID:

135171686

Reduced:

O3N5C25H33 (1)

Stoich.:

A3B5C25D33 (1)

Weight, g/mol:

830.256943

ΔHf, kcal/mol:

-52.95

Dipole, Da:

7.25

IP(EA), eV:

 -8.91(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[8-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NN=C(C=C3)C#N

DOS

IR

Vibrations