Geometry & MOs

Info

ID:	252833
PubChem CID:	103114451
Reduced:	O3N4C12H16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	309.068033
ΔH_f, kcal/mol:	-57.36
Dipole, Da:	5.54
IP(EA), eV:	-9.98(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2CCN(C2=O)C)C(=O)OCC=C

DOS

IR

Vibrations