Geometry & MOs

Info

ID:	415129
PubChem CID:	135088115
Reduced:	FN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	331.155927
ΔH_f, kcal/mol:	-151.69
Dipole, Da:	5.0
IP(EA), eV:	-9.07(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)C2=NC=C(C=N2)F)C(=O)O

DOS

IR

Vibrations