Geometry & MOs

Info

ID:	292635
PubChem CID:	117356074
Reduced:	ClFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	241.041818
ΔH_f, kcal/mol:	-33.23
Dipole, Da:	3.93
IP(EA), eV:	-8.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-3-fluorophenol

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=CC(=C(C=C2O)F)Cl)N

DOS

IR

Vibrations