Geometry & MOs

Info

ID:	441612
PubChem CID:	135237308
Reduced:	NH9C16 (2)
Stoich.:	AB9C16 (2)
Weight, g/mol:	374.145342
ΔH_f, kcal/mol:	177.45
Dipole, Da:	3.41
IP(EA), eV:	-8.93(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 3-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=CC(=C3)C4=CC=CC(=C4)C#N)C5=C2C=C(C=C5)C6=CC=CC(=C6)C#N

DOS

IR

Vibrations