Geometry & MOs

Info

ID:	280502
PubChem CID:	103849635
Reduced:	NO5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	315.204573
ΔH_f, kcal/mol:	-190.34
Dipole, Da:	3.56
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4(CC(OC(C4)C)C)C(=O)O

DOS

IR

Vibrations