Geometry & MOs

Info

ID:	432340
PubChem CID:	135172473
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	408.0546
ΔH_f, kcal/mol:	-70.4
Dipole, Da:	2.58
IP(EA), eV:	-9.11(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-[6-(iodoamino)pyridin-3-yl]oxypropoxy]propoxy]propan-2-one

Drug info:

PubChemData

Smile

CCC(=O)COCCOC1=CC=C(C=C1)C2=CN=CC=C2

DOS

IR

Vibrations