Geometry & MOs

Info

ID:	213866
PubChem CID:	81065497
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	254.101505
ΔH_f, kcal/mol:	-44.06
Dipole, Da:	3.69
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NC=C(C=C1)C#N

DOS

IR

Vibrations