Geometry & MOs

Info

ID:	292629
PubChem CID:	117356047
Reduced:	ClFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	241.041818
ΔH_f, kcal/mol:	-26.54
Dipole, Da:	5.54
IP(EA), eV:	-8.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)Cl)F)C2=C(NN=C2)N

DOS

IR

Vibrations