Geometry & MOs

Info

ID:	273827
PubChem CID:	103805262
Reduced:	BrClFON2H9C13 (1)
Stoich.:	ABCDE2F9G13 (1)
Weight, g/mol:	248.107339
ΔH_f, kcal/mol:	-49.28
Dipole, Da:	3.22
IP(EA), eV:	-8.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-5-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)Cl)Br)N)F

DOS

IR

Vibrations