Geometry & MOs

Info

ID:	258427
PubChem CID:	103153845
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	-121.49
Dipole, Da:	3.32
IP(EA), eV:	-8.6(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC1=NC=CN(C1=O)C2CC2

DOS

IR

Vibrations