Geometry & MOs

Info

ID:	292628
PubChem CID:	117356046
Reduced:	ClFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	241.041818
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	3.65
IP(EA), eV:	-9.0(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-2-fluoro-6-methoxyphenyl)-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations