Geometry & MOs

Info

ID:	277173
PubChem CID:	103827146
Reduced:	BrClNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	311.9665
ΔH_f, kcal/mol:	-92.27
Dipole, Da:	4.54
IP(EA), eV:	-10.03(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(1-cyanocyclobutyl)benzamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations