Geometry & MOs

Info

ID:	252816
PubChem CID:	103114338
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	289.122655
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	5.19
IP(EA), eV:	-10.26(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)N1C(=C(N=N1)C(=O)OCC=C)C

DOS

IR

Vibrations