Geometry & MOs

Info

ID:	155801
PubChem CID:	56367619
Reduced:	BrClN2O3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	460.07462
ΔH_f, kcal/mol:	-94.07
Dipole, Da:	4.34
IP(EA), eV:	-9.05(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Br)NC(=O)C)OC2=CC(=CC=C2)Cl

DOS

IR

Vibrations