Geometry & MOs

Info

ID:	328372
PubChem CID:	126701218
Reduced:	NO2C9H19 (1)
Stoich.:	AB2C9D19 (1)
Weight, g/mol:	286.141638
ΔH_f, kcal/mol:	-118.01
Dipole, Da:	5.59
IP(EA), eV:	-9.27(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-tert-butyl 1-O-[2-(hydroxymethyl)-2-methyl-3-oxobutyl] (E)-but-2-enedioate

Drug info:

PubChemData

Smile

CC(C)(CC(C)(C)NC)C(=O)O

DOS

IR

Vibrations