Geometry & MOs

Info

ID:	259751
PubChem CID:	103173542
Reduced:	NO4C10H13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	-137.97
Dipole, Da:	4.18
IP(EA), eV:	-9.61(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations