Geometry & MOs

Info

ID:

377320

PubChem CID:

134223368

Reduced:

ON2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

174.77

Dipole, Da:

2.31

IP(EA), eV:

 -7.99(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(9,14-diphenyl-9,14-diazapentacyclo[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)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)C8=C(N7C9=CC=CC=C9)C=C1C2=CC=CC=C2OC1=C8)C1=CC=CC=C1)C

DOS

IR

Vibrations