Geometry & MOs

Info

ID:	289632
PubChem CID:	104361861
Reduced:	BrON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	294.149891
ΔH_f, kcal/mol:	-9.75
Dipole, Da:	3.23
IP(EA), eV:	-8.59(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-N,4-dimethylpiperidin-4-amine

Drug info:

PubChemData

Smile

CN(CCN1CCNCC1)CC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations