Geometry & MOs

Info

ID:	419038
PubChem CID:	135107374
Reduced:	NO3C24H37 (1)
Stoich.:	AB3C24D37 (1)
Weight, g/mol:	365.220223
ΔH_f, kcal/mol:	-128.83
Dipole, Da:	5.78
IP(EA), eV:	-8.09(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=CC(=C(C(=C3)OC)OC(C)C)CC=C)O

DOS

IR

Vibrations