Geometry & MOs

Info

ID:	294223
PubChem CID:	117438486
Reduced:	FON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-51.38
Dipole, Da:	3.35
IP(EA), eV:	-8.7(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclobutylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)C3(CCC3)N=C=O)F

DOS

IR

Vibrations