Geometry & MOs

Info

ID:	151154
PubChem CID:	53790853
Reduced:	BrCl2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	234.94443
ΔH_f, kcal/mol:	-161.38
Dipole, Da:	5.05
IP(EA), eV:	-9.31(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4,5-difluorobenzamide

Drug info:

PubChemData

Smile

CC(C)(COC(=O)COC1=CC=CC=C1)C(=O)C(OC2=C(C=C(C=C2)Cl)Cl)Br

DOS

IR

Vibrations