Geometry & MOs

Info

ID:	277709
PubChem CID:	103830503
Reduced:	BrN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	338.99063
ΔH_f, kcal/mol:	2.38
Dipole, Da:	4.59
IP(EA), eV:	-9.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-fluoro-2-methoxyphenyl)-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C#N)C(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations