Geometry & MOs

Info

ID:	292627
PubChem CID:	117356043
Reduced:	ClFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	241.041818
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	2.87
IP(EA), eV:	-8.85(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C2=C(NN=C2)N)O)F)Cl

DOS

IR

Vibrations