Geometry & MOs

Info

ID:	262083
PubChem CID:	103269014
Reduced:	NSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-63.23
Dipole, Da:	4.27
IP(EA), eV:	-8.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CSCC1NCC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations