Geometry & MOs

Info

ID:	269294
PubChem CID:	103616785
Reduced:	BrIN2O2C15H20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-63.78
Dipole, Da:	0.47
IP(EA), eV:	-9.3(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N(C)C)NC(=O)C1=C(C=CC(=C1)Br)I

DOS

IR

Vibrations