Geometry & MOs

Info

ID:	262063
PubChem CID:	103267861
Reduced:	NO4H13C15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	253.063346
ΔH_f, kcal/mol:	-80.95
Dipole, Da:	6.44
IP(EA), eV:	-9.23(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-thiazol-5-ylmethylamino)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CNCC3=COC=C3

DOS

IR

Vibrations