Geometry & MOs

Info

ID:	259748
PubChem CID:	103173476
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-109.78
Dipole, Da:	6.83
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxypyridin-2-yl)methyl-propan-2-ylamino]butanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CN(CCC(=O)O)C2CC2)OC

DOS

IR

Vibrations