Geometry & MOs

Info

ID:	289693
PubChem CID:	104367564
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	228.056863
ΔH_f, kcal/mol:	-74.7
Dipole, Da:	6.63
IP(EA), eV:	-8.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl-[2-(methylamino)-2-oxoethyl]amino]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCN(CC)C1=CSC(=C1)C(=O)O

DOS

IR

Vibrations