Geometry & MOs

Info

ID:	230126
PubChem CID:	87570261
Reduced:	NBr2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	482.95038
ΔH_f, kcal/mol:	-50.28
Dipole, Da:	5.21
IP(EA), eV:	-8.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[4-(2,2-dibromoethenyl)-2-methylphenoxy]methyl]phenyl]-2-methoxyiminoacetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C=C(Br)Br)OCC2=CC=CC=C2/C(=N/OC)/C(=O)O

DOS

IR

Vibrations