Geometry & MOs

Info

ID:	277084
PubChem CID:	103826647
Reduced:	BrClON2C16H20 (1)
Stoich.:	ABCD2E16F20 (1)
Weight, g/mol:	358.99238
ΔH_f, kcal/mol:	-32.33
Dipole, Da:	5.85
IP(EA), eV:	-9.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-bromo-5-chlorobenzoyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(C2)C(=O)C3=CC(=CC(=C3)Br)Cl

DOS

IR

Vibrations