Geometry & MOs

Info

ID:	292634
PubChem CID:	117356072
Reduced:	ClFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	241.041818
ΔH_f, kcal/mol:	-35.42
Dipole, Da:	4.49
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C=CC(=C2F)Cl)O)N

DOS

IR

Vibrations