Geometry & MOs

Info

ID:	292620
PubChem CID:	117356028
Reduced:	ClFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	241.041818
ΔH_f, kcal/mol:	-26.13
Dipole, Da:	2.79
IP(EA), eV:	-8.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1C2=CC(=NN2)N)F)Cl

DOS

IR

Vibrations