Geometry & MOs

Info

ID:	294100
PubChem CID:	117427122
Reduced:	ClFNO3H9C12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	269.036732
ΔH_f, kcal/mol:	-97.05
Dipole, Da:	3.57
IP(EA), eV:	-9.9(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-chloro-5-fluoro-1,3-benzodioxol-4-yl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C2=NOC(=C2)C(=O)O)Cl)F

DOS

IR

Vibrations