Geometry & MOs

Info

ID:	252834
PubChem CID:	103114466
Reduced:	ClFO2N3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-46.66
Dipole, Da:	5.57
IP(EA), eV:	-10.15(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-(2-pyridin-2-ylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=C(C=CC=C2Cl)F)C(=O)OCC=C

DOS

IR

Vibrations