Geometry & MOs

Info

ID:	294903
PubChem CID:	117503139
Reduced:	BrNF2O2H10C12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	316.99753
ΔH_f, kcal/mol:	-138.8
Dipole, Da:	4.08
IP(EA), eV:	-9.78(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=C(C(=CC(=C2O)Br)F)F)N=C=O

DOS

IR

Vibrations