Geometry & MOs

Info

ID:	252836
PubChem CID:	103114483
Reduced:	ClSO2N3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	10.59
Dipole, Da:	3.76
IP(EA), eV:	-9.83(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC=C(S2)Cl)C(=O)OCC=C

DOS

IR

Vibrations