Geometry & MOs

Info

ID:	261609
PubChem CID:	103241969
Reduced:	N2O5C13H22 (1)
Stoich.:	A2B5C13D22 (1)
Weight, g/mol:	247.141973
ΔH_f, kcal/mol:	-200.13
Dipole, Da:	5.12
IP(EA), eV:	-9.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(1,4-dioxan-2-ylmethylamino)-3-hydroxybutanoate

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=O)N1)OCCOCCOCCOC

DOS

IR

Vibrations