Geometry & MOs

Info

ID:	261905
PubChem CID:	103258201
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	-66.09
Dipole, Da:	4.92
IP(EA), eV:	-9.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CN=CC=C1)NCC2=C(C=CO2)C(=O)O

DOS

IR

Vibrations