Geometry & MOs

Info

ID:	226742
PubChem CID:	87558010
Reduced:	ClN2O3C27H33 (1)
Stoich.:	AB2C3D27E33 (1)
Weight, g/mol:	295.090331
ΔH_f, kcal/mol:	-56.07
Dipole, Da:	3.29
IP(EA), eV:	-8.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminopentanedioic acid;2-hydroxypentanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)N3CCN(CC3)C)OC)Cl

DOS

IR

Vibrations