Geometry & MOs

Info

ID:	262809
PubChem CID:	103319443
Reduced:	BrFN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	352.06989
ΔH_f, kcal/mol:	10.86
Dipole, Da:	4.91
IP(EA), eV:	-8.63(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-butyl-7-(5-fluoropyridin-2-yl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCCCC1=C(C2=NCCC(N2N1)C3=CC(=CC=C3)F)Br

DOS

IR

Vibrations