Geometry & MOs

Info

ID:	157215
PubChem CID:	56422407
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	345.00343
ΔH_f, kcal/mol:	-149.57
Dipole, Da:	3.73
IP(EA), eV:	-8.72(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromothiophen-2-yl)-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)/C=C/C(=O)N2CCCCC2C3OCCO3

DOS

IR

Vibrations