Geometry & MOs

Info

ID:	259484
PubChem CID:	103166547
Reduced:	OBr2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	259.133907
ΔH_f, kcal/mol:	-38.09
Dipole, Da:	1.75
IP(EA), eV:	-9.57(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloropiperidin-1-yl)-2-(3-ethoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(CC2=CC(=CC=C2)Br)Br

DOS

IR

Vibrations