Geometry & MOs

Info

ID:

431516

PubChem CID:

135171597

Reduced:

N2O2H36C57 (1)

Stoich.:

A2B2C36D57 (1)

Weight, g/mol:

740.246378

ΔHf, kcal/mol:

176.89

Dipole, Da:

2.27

IP(EA), eV:

 -8.11(-1.24)

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-phenylcarbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N4C5=C(C=C(C=C5)C6=C7C8=CC=CC=C8N(C7=CC=C6)C9=CC1=C(C=C9)OC2=C1C=C1C(=C2)C2=CC=CC=C2O1)C1=CC=CC=C14)C

DOS

IR

Vibrations