Geometry & MOs

Info

ID:	214012
PubChem CID:	81065755
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-122.88
Dipole, Da:	3.93
IP(EA), eV:	-9.98(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations