Geometry & MOs

Info

ID:	198308
PubChem CID:	79084517
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	220.084792
ΔH_f, kcal/mol:	-81.55
Dipole, Da:	8.33
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1C)SC(C)C2=CC=C(O2)C(=O)O)C

DOS

IR

Vibrations