Geometry & MOs

Info

ID:	254976
PubChem CID:	103129066
Reduced:	BrFON2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-9.59
Dipole, Da:	3.64
IP(EA), eV:	-9.08(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxaspiro[4.5]decan-9-yl(pyrazolo[1,5-a]pyridin-3-yl)methanol

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(CC3=CC(=CC(=C3)Br)F)O

DOS

IR

Vibrations