Geometry & MOs

Info

ID:	205670
PubChem CID:	80132426
Reduced:	BrNOF2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	329.03392
ΔH_f, kcal/mol:	-120.79
Dipole, Da:	3.92
IP(EA), eV:	-10.02(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-2,6-difluorophenyl)-2-methyl-4-propylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1F)Br)F

DOS

IR

Vibrations