Geometry & MOs

Info

ID:	207278
PubChem CID:	80369770
Reduced:	ON8H10C11 (1)
Stoich.:	AB8C10D11 (1)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	124.47
Dipole, Da:	7.58
IP(EA), eV:	-9.52(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=NNN=N2)CN3C=NC=N3

DOS

IR

Vibrations