Geometry & MOs

Info

ID:	420141
PubChem CID:	135111386
Reduced:	ClFNO3C21H21 (1)
Stoich.:	ABCD3E21F21 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	-142.84
Dipole, Da:	6.0
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(3-methoxypropyl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4=C(C=C(C=C4)F)Cl)OCC2

DOS

IR

Vibrations