Geometry & MOs

Info

ID:	432149
PubChem CID:	135172281
Reduced:	NSF3C6H10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	498.87909
ΔH_f, kcal/mol:	-170.09
Dipole, Da:	3.49
IP(EA), eV:	-9.23(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-9-(4-iodo-1,3,5-triazin-2-yl)pyrido[2,3-b]indole

Drug info:

PubChemData

Smile

CSC1(CCNC1)C(F)(F)F

DOS

IR

Vibrations