Geometry & MOs

Info

ID:	252826
PubChem CID:	103114379
Reduced:	ClFO2N3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-47.63
Dipole, Da:	4.57
IP(EA), eV:	-10.03(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=C(C=CC(=C2)Cl)F)C(=O)OCC=C

DOS

IR

Vibrations