Geometry & MOs

Info

ID:	232420
PubChem CID:	87576154
Reduced:	NO7C17H29 (1)
Stoich.:	AB7C17D29 (1)
Weight, g/mol:	602.377846
ΔH_f, kcal/mol:	-305.16
Dipole, Da:	4.06
IP(EA), eV:	-9.06(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioate;(1-ethoxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl) acetate

Drug info:

PubChemData

Smile

CCON1C(CC(CC1(C)C)OC(=O)C)(C)C.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations