Geometry & MOs

Info

ID:	340928
PubChem CID:	127263363
Reduced:	ClN2O4C10H13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	254.087827
ΔH_f, kcal/mol:	-112.04
Dipole, Da:	4.63
IP(EA), eV:	-10.24(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-diazaspiro[3.3]heptan-2-yl)ethanone;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

COC(=O)C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])N.Cl

DOS

IR

Vibrations