Geometry & MOs

Info

ID:	267251
PubChem CID:	103581530
Reduced:	BrClFNH12C14 (1)
Stoich.:	ABCDE12F14 (1)
Weight, g/mol:	374.03967
ΔH_f, kcal/mol:	-3.72
Dipole, Da:	2.73
IP(EA), eV:	-9.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4-bromo-3-chlorophenyl)methylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations