Geometry & MOs

Info

ID:	277086
PubChem CID:	103826652
Reduced:	BrClON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	358.00837
ΔH_f, kcal/mol:	-33.79
Dipole, Da:	2.55
IP(EA), eV:	-8.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-bromo-5-chlorobenzoyl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCN1CCC(C1)CNC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations