Geometry & MOs

Info

ID:	277724
PubChem CID:	103830584
Reduced:	BrNF2O2H12C15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	333.03644
ΔH_f, kcal/mol:	-138.39
Dipole, Da:	4.49
IP(EA), eV:	-9.64(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NCCC2=CC(=CC(=C2)F)F)O)Br

DOS

IR

Vibrations