Geometry & MOs

Info

ID:	292626
PubChem CID:	117356040
Reduced:	ClFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	241.041818
ΔH_f, kcal/mol:	-28.38
Dipole, Da:	3.64
IP(EA), eV:	-8.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-1H-pyrazol-4-yl)-4-chloro-6-fluoro-3-methylphenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)F)C2=C(NN=C2)N

DOS

IR

Vibrations