Geometry & MOs

Info

ID:	310269
PubChem CID:	126577733
Reduced:	N2O2H20C37 (1)
Stoich.:	A2B2C20D37 (1)
Weight, g/mol:	524.152478
ΔH_f, kcal/mol:	141.82
Dipole, Da:	4.38
IP(EA), eV:	-8.35(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-([1]benzofuro[2,3-a]carbazol-12-yl)-4-dibenzofuran-2-ylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=C(C=CC=C4C5=CC6=C(C=C5)OC7=CC=CC=C76)C#N)C8=C(C=C3)C9=CC=CC=C9O8

DOS

IR

Vibrations