Geometry & MOs

Info

ID:	252793
PubChem CID:	103114186
Reduced:	O3N4C9H12 (1)
Stoich.:	A3B4C9D12 (1)
Weight, g/mol:	279.083076
ΔH_f, kcal/mol:	-59.15
Dipole, Da:	1.63
IP(EA), eV:	-10.48(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(=O)N)C(=O)OCC=C

DOS

IR

Vibrations