Geometry & MOs

Info

ID:	251686
PubChem CID:	103106002
Reduced:	SO2N3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-6.11
Dipole, Da:	4.82
IP(EA), eV:	-9.47(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-[(5-ethylthiophen-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=CSC=C2)C(=O)OC

DOS

IR

Vibrations