Geometry & MOs

Info

ID:	383254
PubChem CID:	134974877
Reduced:	PO4C8H17 (2)
Stoich.:	AB4C8D17 (2)
Weight, g/mol:	341.087492
ΔH_f, kcal/mol:	-497.63
Dipole, Da:	3.09
IP(EA), eV:	-9.56(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-3-(trifluoromethyl)inden-1-yl] acetate

Drug info:

PubChemData

Smile

CCOP(=O)(COC[C@@H]1CCC[C@H]1OCP(=O)(OCC)OCC)OCC

DOS

IR

Vibrations