Geometry & MOs

Info

ID:	270104
PubChem CID:	103628325
Reduced:	FNSCl2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	340.07864
ΔH_f, kcal/mol:	-11.95
Dipole, Da:	2.6
IP(EA), eV:	-9.37(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-bromo-5-methoxyphenyl)methylamino]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCCC2=CC=C(S2)Cl)F)Cl

DOS

IR

Vibrations