Geometry & MOs

Info

ID:	442537
PubChem CID:	135252716
Reduced:	N5H25C43 (1)
Stoich.:	A5B25C43 (1)
Weight, g/mol:	600.195011
ΔH_f, kcal/mol:	264.87
Dipole, Da:	8.77
IP(EA), eV:	-8.27(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-([1]benzofuro[2,3-b]carbazol-7-yl)pyrido[3,4-b]indol-9-yl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=CC=N6)C7=CC=C(C=C7)C8=CC(=C(C=C8)C#N)C#N)C9=CC=CC=C92

DOS

IR

Vibrations