Geometry & MOs

Info

ID:	292619
PubChem CID:	117356018
Reduced:	ClFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	241.041818
ΔH_f, kcal/mol:	-23.79
Dipole, Da:	10.77
IP(EA), eV:	-8.19(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=C/C(=C/2\C=C(C=C(C2=O)F)Cl)/N1)N

DOS

IR

Vibrations