Geometry & MOs

Info

ID:	199314
PubChem CID:	79229379
Reduced:	OSN2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-23.09
Dipole, Da:	3.73
IP(EA), eV:	-8.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)CN(CCC(=S)N)CC1COC2=CC=CC=C12

DOS

IR

Vibrations