Geometry & MOs

Info

ID:	366962
PubChem CID:	127321948
Reduced:	FNSO3C20H26 (1)
Stoich.:	ABCD3E20F26 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-165.16
Dipole, Da:	2.52
IP(EA), eV:	-9.33(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2-azaspiro[5.5]undec-9-en-2-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCCC2(C1)CCC=CC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations