Geometry & MOs

Info

ID:	64883
PubChem CID:	29204148
Reduced:	ClNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	291.102606
ΔH_f, kcal/mol:	-63.03
Dipole, Da:	4.45
IP(EA), eV:	-9.44(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1-benzofuran-2-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C

DOS

IR

Vibrations