Geometry & MOs

Info

ID:	280500
PubChem CID:	103849630
Reduced:	NO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-217.02
Dipole, Da:	5.16
IP(EA), eV:	-9.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[methyl(phenylmethoxycarbonyl)amino]oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)(C(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations