Geometry & MOs

Info

ID:	200988
PubChem CID:	79471594
Reduced:	FN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	213.111341
ΔH_f, kcal/mol:	-106.96
Dipole, Da:	3.11
IP(EA), eV:	-9.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C1=NC2=C(N1C)C=C(C=C2)F

DOS

IR

Vibrations