Geometry & MOs

Info

ID:

377454

PubChem CID:

134223507

Reduced:

ON2H19C32 (2)

Stoich.:

AB2C19D32 (2)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

252.96

Dipole, Da:

4.43

IP(EA), eV:

 -8.07(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(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-5-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC(=CC=C3)N4C5=CC=CC=C5C6=CC7=C(C=C64)OC8=C7C=C(C=C8)C9=CC1=C(C=C9)N(C2=C1C=C1C3=CC=CC=C3OC1=C2)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations