Geometry & MOs

Info

ID:	48212
PubChem CID:	10537990
Reduced:	N4O4C9H12 (1)
Stoich.:	A4B4C9D12 (1)
Weight, g/mol:	240.133714
ΔH_f, kcal/mol:	-46.37
Dipole, Da:	6.42
IP(EA), eV:	-9.83(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluorononan-2-yl] acetate

Drug info:

PubChemData

Smile

COC1=NC(=C(N1)C(=O)N2CCCC2)[N+](=O)[O-]

DOS

IR

Vibrations