Geometry & MOs

Info

ID:	310097
PubChem CID:	126574306
Reduced:	OC14H18 (2)
Stoich.:	AB14C18 (2)
Weight, g/mol:	496.19367
ΔH_f, kcal/mol:	-101.26
Dipole, Da:	2.25
IP(EA), eV:	-9.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[4-(7-azaspiro[3.5]nonan-7-yl)-5-bromo-6-(hydroxymethyl)-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

C1CC2C3CCC4C=CCC4C3CCC2C5C1CC(CC5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations