Geometry & MOs

Info

ID:	337876
PubChem CID:	127258499
Reduced:	NO6C15H19 (1)
Stoich.:	AB6C15D19 (1)
Weight, g/mol:	273.121237
ΔH_f, kcal/mol:	-178.99
Dipole, Da:	6.18
IP(EA), eV:	-10.86(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-2-ethyl-5-methyl-3-oxoheptanedioic acid

Drug info:

PubChemData

Smile

CCCC(=O)OC[C@H](CC)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations