Geometry & MOs

Info

ID:	432135
PubChem CID:	135172267
Reduced:	O3N5C22H35 (1)
Stoich.:	A3B5C22D35 (1)
Weight, g/mol:	496.88859
ΔH_f, kcal/mol:	-99.08
Dipole, Da:	7.71
IP(EA), eV:	-8.49(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-9-(4-iodopyridin-2-yl)pyrido[2,3-b]indole

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)NC2=NNC(=N2)COC

DOS

IR

Vibrations