Geometry & MOs

Info

ID:	259747
PubChem CID:	103173475
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-141.76
Dipole, Da:	4.88
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl-[(3,4-dimethoxypyridin-2-yl)methyl]amino]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CNC2CCC(CC2)C(=O)O)OC

DOS

IR

Vibrations