Geometry & MOs

Info

ID:	277691
PubChem CID:	103830400
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	337.01137
ΔH_f, kcal/mol:	-73.71
Dipole, Da:	3.84
IP(EA), eV:	-9.45(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(3-fluorophenyl)ethyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations