Geometry & MOs

Info

ID:	84434
PubChem CID:	49866431
Reduced:	SF3N3O5C15H18 (1)
Stoich.:	AB3C3D5E15F18 (1)
Weight, g/mol:	389.09636
ΔH_f, kcal/mol:	-319.05
Dipole, Da:	3.74
IP(EA), eV:	-9.11(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R,3S)-3-aminocyclohexyl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F

DOS

IR

Vibrations