Geometry & MOs

Info

ID:

431592

PubChem CID:

135171680

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

741.241627

ΔHf, kcal/mol:

164.83

Dipole, Da:

1.46

IP(EA), eV:

 -7.9(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9,20-dioxa-6-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)OC9=C8C=CC1=C9C3=CC=CC=C3O1)C1=CC=CC=C12

DOS

IR

Vibrations