Geometry & MOs

Info

ID:	433799
PubChem CID:	135173941
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	590.99787
ΔH_f, kcal/mol:	-35.94
Dipole, Da:	2.27
IP(EA), eV:	-8.6(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[3-[4-(iodoamino)phenoxy]propoxy]butoxy]propoxy]acetyl iodide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=C)[C@@H]2CCN(C2)CCO

DOS

IR

Vibrations