Geometry & MOs

Info

ID:	256100
PubChem CID:	103136999
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	-166.41
Dipole, Da:	3.87
IP(EA), eV:	-8.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC1CCC(O1)COC(=O)C2=C(C=CC(=C2)N)F

DOS

IR

Vibrations