Geometry & MOs

Info

ID:	213985
PubChem CID:	81065622
Reduced:	N3O4C11H15 (1)
Stoich.:	A3B4C11D15 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-76.84
Dipole, Da:	5.33
IP(EA), eV:	-9.32(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-methoxycarbonylpyrimidin-4-yl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NC=CC(=C1)[N+](=O)[O-]

DOS

IR

Vibrations