Geometry & MOs

Info

ID:	252810
PubChem CID:	103114288
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	306.093975
ΔH_f, kcal/mol:	9.23
Dipole, Da:	6.95
IP(EA), eV:	-10.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)CN2C(=C(N=N2)C(=O)OCC=C)C

DOS

IR

Vibrations