Geometry & MOs

Info

ID:

431481

PubChem CID:

135171562

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

160.84

Dipole, Da:

1.95

IP(EA), eV:

 -8.05(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(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)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=CC8=C(C=C7)OC9=C8C=C1C3=CC=CC=C3OC1=C9)C1=CC=CC=C12

DOS

IR

Vibrations