Geometry & MOs

Info

ID:	209362
PubChem CID:	80659707
Reduced:	BrNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	301.0136
ΔH_f, kcal/mol:	-61.96
Dipole, Da:	4.46
IP(EA), eV:	-9.16(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(bromomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CN(CCBr)C(=O)COC1=CC=CC=C1

DOS

IR

Vibrations