Geometry & MOs

Info

ID:	310993
PubChem CID:	126588726
Reduced:	NO2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	518.95422
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	4.45
IP(EA), eV:	-8.69(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations