Geometry & MOs

Info

ID:	421301
PubChem CID:	135115748
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	359.170828
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	2.44
IP(EA), eV:	-9.42(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)C2=NC=C(C=C2)O)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations