Geometry & MOs

Info

ID:	46141
PubChem CID:	10522416
Reduced:	O3C23H34 (1)
Stoich.:	A3B23C34 (1)
Weight, g/mol:	232.154883
ΔH_f, kcal/mol:	-147.09
Dipole, Da:	4.27
IP(EA), eV:	-9.89(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-[(2R,6S)-6-(hydroxymethyl)-4,4,6-trimethylmorpholin-4-ium-2-yl]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)/C=C(\C)/C(=O)O

DOS

IR

Vibrations