Geometry & MOs

Info

ID:	277122
PubChem CID:	103826860
Reduced:	BrClN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	358.99238
ΔH_f, kcal/mol:	-66.94
Dipole, Da:	3.16
IP(EA), eV:	-9.08(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCNC(=O)C1=CC(=CC(=C1)Br)Cl)CCOC

DOS

IR

Vibrations