Geometry & MOs

Info

ID:	420059
PubChem CID:	135110939
Reduced:	OF3N3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	321.209264
ΔH_f, kcal/mol:	-163.42
Dipole, Da:	2.94
IP(EA), eV:	-9.18(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[(2-phenylphenyl)methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations