Geometry & MOs

Info

ID:	203959
PubChem CID:	79893511
Reduced:	FON4H9C14 (1)
Stoich.:	ABC4D9E14 (1)
Weight, g/mol:	257.14495
ΔH_f, kcal/mol:	27.52
Dipole, Da:	4.57
IP(EA), eV:	-8.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxymethyl)pyrrolidine

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)OC(=N2)NC3=CC(=C(C=C3)F)C#N)N

DOS

IR

Vibrations