Geometry & MOs

Info

ID:	233375
PubChem CID:	89854383
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	537.24214
ΔH_f, kcal/mol:	-146.71
Dipole, Da:	4.49
IP(EA), eV:	-8.33(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dihydroxy-3-pentanoyloxybutanoic acid;4-(3-methylbutanoyloxy)-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCOC(=O)NC1=C2C(=CC=C1)N(C=C2/C=C/C(=O)OC)C

DOS

IR

Vibrations