Geometry & MOs

Info

ID:	261540
PubChem CID:	103239096
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	270.103814
ΔH_f, kcal/mol:	-140.57
Dipole, Da:	4.72
IP(EA), eV:	-9.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCNC(=O)CNC/C=C(/CC)\C(=O)OC

DOS

IR

Vibrations