Geometry & MOs

Info

ID:	259044
PubChem CID:	103158079
Reduced:	NO4C9H19 (1)
Stoich.:	AB4C9D19 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-189.46
Dipole, Da:	3.26
IP(EA), eV:	-9.73(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 4-amino-3-methoxybutanoate

Drug info:

PubChemData

Smile

CCOCCOC(=O)CC(CN)OC

DOS

IR

Vibrations