Geometry & MOs

Info

ID:	319226
PubChem CID:	126655374
Reduced:	FSO5N8C30H33 (1)
Stoich.:	ABC5D8E30F33 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	6.74
IP(EA), eV:	-8.56(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1H-pyrazol-5-yl)-1,4-dioxa-7-azaspiro[4.4]nonane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5CCN(CC5)S(=O)(=O)C6CN(C6)C

DOS

IR

Vibrations