Geometry & MOs

Info

ID:	292624
PubChem CID:	117356038
Reduced:	ClFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	241.041818
ΔH_f, kcal/mol:	-22.23
Dipole, Da:	2.97
IP(EA), eV:	-8.67(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1F)Cl)C2=CC(=NN2)N

DOS

IR

Vibrations