Geometry & MOs

Info

ID:	251684
PubChem CID:	103105984
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	-17.79
Dipole, Da:	4.43
IP(EA), eV:	-9.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=NC(=C(S2)C)C)C(=O)OC

DOS

IR

Vibrations