Geometry & MOs

Info

ID:	228790
PubChem CID:	87565787
Reduced:	N3O3C28H45 (1)
Stoich.:	A3B3C28D45 (1)
Weight, g/mol:	254.100168
ΔH_f, kcal/mol:	-167.88
Dipole, Da:	4.81
IP(EA), eV:	-8.61(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyethoxy)ethanol;2-methoxybutanedioic acid

Drug info:

PubChemData

Smile

CCC[C@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC(=O)C3=CC(=C(C=C3)O)C(C)(C)C)N(C)C(C)C

DOS

IR

Vibrations