Geometry & MOs

Info

ID:

431600

PubChem CID:

135171688

Reduced:

NOH16C27 (2)

Stoich.:

ABC16D27 (2)

Weight, g/mol:

816.277678

ΔHf, kcal/mol:

185.21

Dipole, Da:

1.76

IP(EA), eV:

 -8.2(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)carbazol-3-yl]-2,7,9-triphenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=CC=CC=C4C5=C3C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC1=C(C=C9)C2=C(O1)C=CC1=C2C2=CC=CC=C2O1

DOS

IR

Vibrations