Geometry & MOs

Info

ID:	432159
PubChem CID:	135172291
Reduced:	I2N2H8C15 (1)
Stoich.:	A2B2C8D15 (1)
Weight, g/mol:	497.88384
ΔH_f, kcal/mol:	131.47
Dipole, Da:	4.24
IP(EA), eV:	-9.07(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=C(C=C3)I)N4C2=CC(=N4)I

DOS

IR

Vibrations