Geometry & MOs

Info

ID:

431524

PubChem CID:

135171605

Reduced:

NOH17C27 (2)

Stoich.:

ABC17D27 (2)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

180.67

Dipole, Da:

2.45

IP(EA), eV:

 -8.01(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(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)carbazol-2-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1C=CC2=C(C1C3=CC=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9)C1=CC=CC=C14)OC1=C2C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations