Geometry & MOs

Info

ID:	415320
PubChem CID:	135088314
Reduced:	NOF4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	325.261694
ΔH_f, kcal/mol:	-246.24
Dipole, Da:	5.13
IP(EA), eV:	-9.13(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-9-(2-cycloheptylethyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)CC3=CC(=C(C=C3)C(F)(F)F)F

DOS

IR

Vibrations