Geometry & MOs

Info

ID:	251563
PubChem CID:	103104922
Reduced:	O2N7C11H17 (1)
Stoich.:	A2B7C11D17 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	25.5
Dipole, Da:	4.11
IP(EA), eV:	-10.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=NN=N1)CN2C(=C(N=N2)C(=O)OCC)C

DOS

IR

Vibrations