Geometry & MOs

Info

ID:	204043
PubChem CID:	79904545
Reduced:	N2O2C15H28 (1)
Stoich.:	A2B2C15D28 (1)
Weight, g/mol:	272.144616
ΔH_f, kcal/mol:	-113.45
Dipole, Da:	3.23
IP(EA), eV:	-8.82(1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)butanoate

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)C2CCOC3(C2)CCOC3)N

DOS

IR

Vibrations