Geometry & MOs

Info

ID:	442518
PubChem CID:	135252604
Reduced:	N3H15C22 (2)
Stoich.:	A3B15C22 (2)
Weight, g/mol:	471.148396
ΔH_f, kcal/mol:	257.32
Dipole, Da:	1.92
IP(EA), eV:	-8.01(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]benzene-1,3,5-tricarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)N4C5=C(C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=C4N=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations