Geometry & MOs

Info

ID:	217439
PubChem CID:	85087823
Reduced:	NO3C22H37 (1)
Stoich.:	AB3C22D37 (1)
Weight, g/mol:	364.152203
ΔH_f, kcal/mol:	-120.85
Dipole, Da:	0.75
IP(EA), eV:	-8.38(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8,8-dimethoxy-2,2-dimethyl-7-oxo-1,3-dioxaspiro[4.5]decan-9-yl) benzoate

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=C(C=C1OC)C=CCCCCN(C)C)OC

DOS

IR

Vibrations