Geometry & MOs

Info

ID:

377324

PubChem CID:

134223372

Reduced:

ON2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

181.73

Dipole, Da:

2.15

IP(EA), eV:

 -8.1(-0.78)

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)-11-phenyl-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC8=C(C=C7)C9=C(N8C1=CC=CC=C1)C1=C(C=C9)C2=CC=CC=C2O1)C

DOS

IR

Vibrations