Geometry & MOs

Info

ID:	267265
PubChem CID:	103581578
Reduced:	BrClN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	358.04475
ΔH_f, kcal/mol:	10.88
Dipole, Da:	3.13
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-3-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCN1CCC(C1)CNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations