Geometry & MOs

Info

ID:	289608
PubChem CID:	104360221
Reduced:	ClNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	324.04734
ΔH_f, kcal/mol:	-127.71
Dipole, Da:	5.59
IP(EA), eV:	-8.82(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]piperidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)CCNCC1=CC(=CC2=C1OCC2)Cl

DOS

IR

Vibrations