Geometry & MOs

Info

ID:	279147
PubChem CID:	103841678
Reduced:	BrClN2O2H10C13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	358.00837
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	3.05
IP(EA), eV:	-8.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-bromo-4-chlorobenzoyl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations