Geometry & MOs

Info

ID:	261616
PubChem CID:	103242270
Reduced:	NO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	266.072513
ΔH_f, kcal/mol:	-133.01
Dipole, Da:	8.27
IP(EA), eV:	-9.44(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(COC1)CN/C=C/C(=O)O

DOS

IR

Vibrations