Geometry & MOs

Info

ID:	432187
PubChem CID:	135172319
Reduced:	N3O5C14H23 (1)
Stoich.:	A3B5C14D23 (1)
Weight, g/mol:	497.88384
ΔH_f, kcal/mol:	-206.53
Dipole, Da:	4.32
IP(EA), eV:	-9.34(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-8-(4-iodopyridin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(N1NC(CC(=O)OC)O)C)C(C)C

DOS

IR

Vibrations