Geometry & MOs

Info

ID:	26828
PubChem CID:	798995
Reduced:	OF2N2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	307.05718
ΔH_f, kcal/mol:	-79.66
Dipole, Da:	2.11
IP(EA), eV:	-8.89(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3-piperidin-1-ylbut-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations