Geometry & MOs

Info

ID:	38310
PubChem CID:	8029880
Reduced:	OSN4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	214.120509
ΔH_f, kcal/mol:	101.3
Dipole, Da:	5.4
IP(EA), eV:	-8.7(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)CC4=CC=CC=C4

DOS

IR

Vibrations