Geometry & MOs

Info

ID:	155257
PubChem CID:	56324225
Reduced:	BrN3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	438.0146
ΔH_f, kcal/mol:	-50.56
Dipole, Da:	6.4
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations