Geometry & MOs

Info

ID:	310997
PubChem CID:	126588741
Reduced:	NO2F3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	472.96603
ΔH_f, kcal/mol:	-226.13
Dipole, Da:	4.22
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-bromo-2-[(2-bromo-4-ethyl-5-methylphenoxy)methyl]phenyl]-N-hydroxycarbamate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2NC(=O)CC)C(F)(F)F)C

DOS

IR

Vibrations