Geometry & MOs

Info

ID:	272643
PubChem CID:	103750656
Reduced:	BrFON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	322.0117
ΔH_f, kcal/mol:	-77.59
Dipole, Da:	2.88
IP(EA), eV:	-9.37(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromo-5-fluoroanilino)methyl]benzamide

Drug info:

PubChemData

Smile

CCCNC(=O)CNC1=C(C=CC(=C1)F)Br

DOS

IR

Vibrations