Geometry & MOs

Info

ID:	276712
PubChem CID:	103824774
Reduced:	O3N4C9H12 (1)
Stoich.:	A3B4C9D12 (1)
Weight, g/mol:	212.073182
ΔH_f, kcal/mol:	-76.4
Dipole, Da:	2.83
IP(EA), eV:	-9.91(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-prop-2-enylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1CCN(C1)C(=O)C2=NC=NN2

DOS

IR

Vibrations