Geometry & MOs

Info

ID:	416383
PubChem CID:	135089396
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	279.138992
ΔH_f, kcal/mol:	-233.02
Dipole, Da:	2.9
IP(EA), eV:	-9.07(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[(3-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)C(C)(C)OC2=CC=CC(=C2)C)C(=O)O

DOS

IR

Vibrations