Geometry & MOs

Info

ID:	217790
PubChem CID:	85088393
Reduced:	P3C7O13H15 (1)
Stoich.:	A3B7C13D15 (1)
Weight, g/mol:	404.0233
ΔH_f, kcal/mol:	-761.63
Dipole, Da:	5.47
IP(EA), eV:	-10.76(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-iodo-6-methyl-4-(3-nitrophenoxy)piperidin-2-one

Drug info:

PubChemData

Smile

C=CC1C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O

DOS

IR

Vibrations