Geometry & MOs

Info

ID:	343387
PubChem CID:	127266560
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-148.94
Dipole, Da:	3.6
IP(EA), eV:	-9.41(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CCCN(C1)C(=O)C=C

DOS

IR

Vibrations