Geometry & MOs

Info

ID:	201026
PubChem CID:	79476316
Reduced:	NSO2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-37.15
Dipole, Da:	6.32
IP(EA), eV:	-9.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCC1=CC=CS1)C2=CC=CC=C2C(=O)O

DOS

IR

Vibrations