Geometry & MOs

Info

ID:	183060
PubChem CID:	76973661
Reduced:	O2N4C5H8 (1)
Stoich.:	A2B4C5D8 (1)
Weight, g/mol:	176.073439
ΔH_f, kcal/mol:	-32.11
Dipole, Da:	2.56
IP(EA), eV:	-10.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3-(15N)azanyl-(3,5-13C2,2,4-15N2)1,2,4-triazol-1-yl)propanoic acid

Drug info:

PubChemData

Smile

[13CH]1=[15N][15N]([13CH]=[15N]1)CC(C(=O)O)N

DOS

IR

Vibrations