Geometry & MOs

Info

ID:	251597
PubChem CID:	103105182
Reduced:	SO2N3C11H19 (1)
Stoich.:	AB2C3D11E19 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-57.39
Dipole, Da:	4.44
IP(EA), eV:	-9.02(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-methoxy-3-methylbutyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCSCC)C

DOS

IR

Vibrations