Geometry & MOs

Info

ID:	146113
PubChem CID:	53637986
Reduced:	O9C14H22 (1)
Stoich.:	A9B14C22 (1)
Weight, g/mol:	362.171596
ΔH_f, kcal/mol:	-347.66
Dipole, Da:	5.16
IP(EA), eV:	-10.45(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-oxo-3-phenylmethoxycarbonyl-3-piperidin-1-yl-1,3-diazinan-3-ium-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)OOC(C)(C)CC(C)OC(=O)C(=O)O

DOS

IR

Vibrations