Geometry & MOs

Info

ID:	145667
PubChem CID:	53568422
Reduced:	BrO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	342.090183
ΔH_f, kcal/mol:	8.04
Dipole, Da:	4.17
IP(EA), eV:	-9.82(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-(2,5-dichlorophenyl)acetyl]piperidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1CCN(C2)C(=O)C3=COC(=C3)Br

DOS

IR

Vibrations