Geometry & MOs

Info

ID:	252497
PubChem CID:	103111787
Reduced:	ON2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	299.122969
ΔH_f, kcal/mol:	77.94
Dipole, Da:	6.05
IP(EA), eV:	-9.37(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=CC=CC(=N2)C#N

DOS

IR

Vibrations