Geometry & MOs

Info

ID:	444718
PubChem CID:	135263354
Reduced:	FN5O5C10H12 (1)
Stoich.:	AB5C5D10E12 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-115.41
Dipole, Da:	10.49
IP(EA), eV:	-9.4(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]acetic acid

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OF)O)NC(=NC2=O)N

DOS

IR

Vibrations