Geometry & MOs

Info

ID:

377691

PubChem CID:

134223755

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

222.24

Dipole, Da:

3.62

IP(EA), eV:

 -7.74(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)N(C6=C5C=CC(=C6)C7=CC8=C(C=C7)N(C9=C8C=C1C(=C9)C2=CC=CC=C2O1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations