Geometry & MOs

Info

ID:	340884
PubChem CID:	127263319
Reduced:	C4H5 (4)
Stoich.:	A4B5 (4)
Weight, g/mol:	265.092617
ΔH_f, kcal/mol:	-1.79
Dipole, Da:	0.84
IP(EA), eV:	-8.5(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=CC2=C(C=C1)C=C(C(=C2)C)C

DOS

IR

Vibrations