Geometry & MOs

Info

ID:

431591

PubChem CID:

135171679

Reduced:

NOH16C28 (2)

Stoich.:

ABC16D28 (2)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

194.33

Dipole, Da:

2.1

IP(EA), eV:

 -8.07(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(C7=CC=CC=C75)N(C8=CC=CC=C86)C9=CC1=C(C=C9)OC3=C1C=C1C(=C3)C3=CC=CC=C3O1)C1=CC=CC=C12

DOS

IR

Vibrations