Geometry & MOs

Info

ID:

431483

PubChem CID:

135171564

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

166.55

Dipole, Da:

1.23

IP(EA), eV:

 -7.95(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-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=C8C(=C9C(=C7)C1=CC=CC=C1O9)C1=CC=CC=C1O8)C1=CC=CC=C12

DOS

IR

Vibrations