Geometry & MOs

Info

ID:	442461
PubChem CID:	135252249
Reduced:	NSO6C14H23 (1)
Stoich.:	ABC6D14E23 (1)
Weight, g/mol:	508.218507
ΔH_f, kcal/mol:	-273.31
Dipole, Da:	7.16
IP(EA), eV:	-9.38(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(6-methylpyridin-2-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)C=C(CO2)OS(=O)(=O)C

DOS

IR

Vibrations