Geometry & MOs

Info

ID:	259942
PubChem CID:	103178022
Reduced:	NSO6C12H17 (1)
Stoich.:	ABC6D12E17 (1)
Weight, g/mol:	230.199428
ΔH_f, kcal/mol:	-147.9
Dipole, Da:	4.43
IP(EA), eV:	-9.92(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N'-[2-(3-methoxypropoxy)ethyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(S1)OCCOCCCOC)[N+](=O)[O-]

DOS

IR

Vibrations