Geometry & MOs

Info

ID:	279319
PubChem CID:	103843046
Reduced:	BrF2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	352.01352
ΔH_f, kcal/mol:	-31.13
Dipole, Da:	3.44
IP(EA), eV:	-8.97(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,5-difluoro-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]aniline

Drug info:

PubChemData

Smile

CN1C=NC=C1CNC2=CC(=C(C=C2F)Br)F

DOS

IR

Vibrations