Geometry & MOs

Info

ID:	425044
PubChem CID:	135124949
Reduced:	SF2O2N6C20H20 (1)
Stoich.:	AB2C2D6E20F20 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-18.23
Dipole, Da:	2.79
IP(EA), eV:	-9.05(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-methoxy-6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]

Drug info:

PubChemData

Smile

CC1(C2(CC2)S(N(C(=N1)N)C)(O)O)C3=C(C=CC(=C3)C=C(C4=NC=C(N=C4)C#N)F)F

DOS

IR

Vibrations