Geometry & MOs

Info

ID:	416515
PubChem CID:	135089536
Reduced:	FN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	317.235479
ΔH_f, kcal/mol:	-125.87
Dipole, Da:	5.9
IP(EA), eV:	-9.45(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-(4-phenylbutyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC(=C(C=C3)F)O

DOS

IR

Vibrations