Geometry & MOs

Info

ID:

431601

PubChem CID:

135171689

Reduced:

NOH18C30 (2)

Stoich.:

ABC18D30 (2)

Weight, g/mol:

790.262028

ΔHf, kcal/mol:

209.4

Dipole, Da:

2.12

IP(EA), eV:

 -8.08(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-[3-(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)phenyl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=CC(=C(C=C4N3C5=CC=CC=C5)C6=CC=CC=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC2=C(C=C1)OC1=C2C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations