Geometry & MOs

Info

ID:	128780
PubChem CID:	51057620
Reduced:	IN2O3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	356.97673
ΔH_f, kcal/mol:	-26.0
Dipole, Da:	7.8
IP(EA), eV:	-9.34(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(5-chloro-2-methylphenyl)-2-hydroxybenzamide;hydrate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NC2=C(C=C(C=C2)C#N)I)OC

DOS

IR

Vibrations