Geometry & MOs

Info

ID:	214068
PubChem CID:	81066867
Reduced:	N2O2F3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-237.75
Dipole, Da:	4.46
IP(EA), eV:	-9.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-methylpyrimidin-2-yl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=C(C=CC=N1)C(F)(F)F

DOS

IR

Vibrations