Geometry & MOs

Info

ID:	261899
PubChem CID:	103257993
Reduced:	NO2S2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	266.083747
ΔH_f, kcal/mol:	-81.1
Dipole, Da:	3.73
IP(EA), eV:	-8.71(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)O)CNCC2CCCCS2

DOS

IR

Vibrations