Geometry & MOs

Info

ID:	422599
PubChem CID:	135118110
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	311.170828
ΔH_f, kcal/mol:	0.62
Dipole, Da:	6.69
IP(EA), eV:	-8.95(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methyl-9-(4,4,4-trifluorobutyl)-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCNC(=O)C2(CC23CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations