Geometry & MOs

Info

ID:	213893
PubChem CID:	81065524
Reduced:	N2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-137.06
Dipole, Da:	3.34
IP(EA), eV:	-10.02(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(1,2,4-triazol-1-yl)propanoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(ON=C1)C

DOS

IR

Vibrations