Geometry & MOs

Info

ID:	253382
PubChem CID:	103118054
Reduced:	FOSN4H11C12 (1)
Stoich.:	ABCD4E11F12 (1)
Weight, g/mol:	284.123303
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	6.03
IP(EA), eV:	-8.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[2-(methylcarbamoylamino)-2-oxoethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=C(C=C(C=C2)F)C(=S)N

DOS

IR

Vibrations