Geometry & MOs

Info

ID:	198095
PubChem CID:	79045531
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	329.0449
ΔH_f, kcal/mol:	-10.53
Dipole, Da:	4.19
IP(EA), eV:	-9.15(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)C1=CN=CN=C1)N2CCCCC2

DOS

IR

Vibrations