Geometry & MOs

Info

ID:	279120
PubChem CID:	103841412
Reduced:	BrClNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	354.97748
ΔH_f, kcal/mol:	-36.31
Dipole, Da:	5.24
IP(EA), eV:	-9.21(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)OC)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations