Geometry & MOs

Info

ID:	32162
PubChem CID:	6435736
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	571.241746
ΔH_f, kcal/mol:	-62.6
Dipole, Da:	2.0
IP(EA), eV:	-8.63(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;(Z)-4-phenyl-3-[2-(3-piperidin-1-ium-1-ylpropoxy)phenoxy]but-3-en-2-one

Drug info:

PubChemData

Smile

CCN(CC)CCCOC1=CC=CC=C1O/C(=C/C2=CC=CC=C2)/C(=O)C

DOS

IR

Vibrations