Geometry & MOs

Info

ID:	27246
PubChem CID:	819886
Reduced:	OSH10C13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	25.31
Dipole, Da:	1.86
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzofuran-2-yl(piperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C2[C@H]3[C@H](C=CC2=C1)C(=CS3)C=O

DOS

IR

Vibrations