Geometry & MOs

Info

ID:	209481
PubChem CID:	80678008
Reduced:	BrNOSC15H18 (1)
Stoich.:	ABCDE15F18 (1)
Weight, g/mol:	339.08339
ΔH_f, kcal/mol:	-33.27
Dipole, Da:	3.18
IP(EA), eV:	-8.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1CBr)C(=O)C2CSC3=CC=CC=C23

DOS

IR

Vibrations