Geometry & MOs

Info

ID:	252994
PubChem CID:	103115358
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	309.089561
ΔH_f, kcal/mol:	-54.01
Dipole, Da:	5.12
IP(EA), eV:	-9.53(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-acetamidoethyl)-5-(2,4-dimethyl-1,3-thiazol-5-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C(C)C(C)O)C2=CN(N=C2)C

DOS

IR

Vibrations