Geometry & MOs

Info

ID:	297838
PubChem CID:	117633400
Reduced:	O2C9H12 (3)
Stoich.:	A2B9C12 (3)
Weight, g/mol:	243.110673
ΔH_f, kcal/mol:	-251.03
Dipole, Da:	5.47
IP(EA), eV:	-9.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-butoxycarbonyl-5-oxopiperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OC(OC)OC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(C)(CC)CC

DOS

IR

Vibrations