Geometry & MOs

Info

ID:	277184
PubChem CID:	103827194
Reduced:	BrClNO3C13H17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	325.98215
ΔH_f, kcal/mol:	-128.74
Dipole, Da:	4.5
IP(EA), eV:	-9.95(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(2-cyanocyclopentyl)benzamide

Drug info:

PubChemData

Smile

CC(CCOC)(CNC(=O)C1=CC(=CC(=C1)Br)Cl)O

DOS

IR

Vibrations