Geometry & MOs

Info

ID:	419862
PubChem CID:	135109448
Reduced:	FNO5C17H22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	359.105499
ΔH_f, kcal/mol:	-250.88
Dipole, Da:	6.43
IP(EA), eV:	-9.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-9-[(3,4-dichlorophenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)C2=C(C(=CC=C2)F)OC)C(=O)O

DOS

IR

Vibrations