Geometry & MOs

Info

ID:	415156
PubChem CID:	135088147
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	361.166492
ΔH_f, kcal/mol:	1.74
Dipole, Da:	2.59
IP(EA), eV:	-8.19(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C3=NC=C(C=C3)CN4CCCCC4

DOS

IR

Vibrations