Geometry & MOs

Info

ID:	200989
PubChem CID:	79471878
Reduced:	NOC3H5 (3)
Stoich.:	ABC3D5 (3)
Weight, g/mol:	227.126991
ΔH_f, kcal/mol:	-92.45
Dipole, Da:	6.4
IP(EA), eV:	-9.93(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NN=CN1CCOC

DOS

IR

Vibrations