Geometry & MOs

Info

ID:

431523

PubChem CID:

135171604

Reduced:

NOH16C27 (2)

Stoich.:

ABC16D27 (2)

Weight, g/mol:

742.262028

ΔHf, kcal/mol:

185.3

Dipole, Da:

1.17

IP(EA), eV:

 -8.15(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,12,15,17,19-octaen-8-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC9=C(C=C8)OC1=C9C=C3C(=C1)C1=CC=CC=C1O3)C1=CC=CC=C12

DOS

IR

Vibrations