Geometry & MOs

Info

ID:	268568
PubChem CID:	103600035
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	275.095771
ΔH_f, kcal/mol:	-122.57
Dipole, Da:	2.09
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)ethyl]-2,4-dihydroxybenzamide

Drug info:

PubChemData

Smile

CCC1COC(CN1C(=O)C2=C(C=CC(=C2)Br)O)C

DOS

IR

Vibrations