Geometry & MOs

Info

ID:	244786
PubChem CID:	99381461
Reduced:	BrClN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	358.00837
ΔH_f, kcal/mol:	-83.99
Dipole, Da:	5.92
IP(EA), eV:	-9.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-(4-bromo-2-chlorobenzoyl)piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CC(=O)N)C(=O)C2=C(C=C(C=C2)Br)Cl

DOS

IR

Vibrations