Geometry & MOs

Info

ID:

431517

PubChem CID:

135171598

Reduced:

NOH16C27 (2)

Stoich.:

ABC16D27 (2)

Weight, g/mol:

740.246378

ΔHf, kcal/mol:

185.5

Dipole, Da:

2.17

IP(EA), eV:

 -7.97(-1.16)

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(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

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=CC=CC(=C7)C8=CC9=C(C=C8)OC1=C9C=C3C(=C1)C1=CC=CC=C1O3)C1=CC=CC=C12

DOS

IR

Vibrations