Geometry & MOs

Info

ID:	32166
PubChem CID:	6435740
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	579.187124
ΔH_f, kcal/mol:	-44.94
Dipole, Da:	6.9
IP(EA), eV:	-8.66(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-[4-chloro-2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]ethyl-diethylazanium

Drug info:

PubChemData

Smile

CC(=O)/C(=C\C1=CC=CC=C1)/OC2=CC=CC=C2OCCCN3CCN(CC3)C

DOS

IR

Vibrations