Geometry & MOs

Info

ID:	231462
PubChem CID:	87573789
Reduced:	SF3N3O3H20C21 (1)
Stoich.:	AB3C3D3E20F21 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-214.13
Dipole, Da:	2.55
IP(EA), eV:	-9.1(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[1-(4-ethynylphenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)C(=O)N2CCC(C2)NC3=NC4=C(S3)C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations