Geometry & MOs

Info

ID:	277149
PubChem CID:	103827045
Reduced:	BrClNOC12H13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	358.99238
ΔH_f, kcal/mol:	-20.72
Dipole, Da:	4.3
IP(EA), eV:	-9.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-1-(3-bromo-5-chlorobenzoyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CN(C1CCC1)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations