Geometry & MOs

Info

ID:	310817
PubChem CID:	126587779
Reduced:	BrNO5C19H22 (1)
Stoich.:	ABC5D19E22 (1)
Weight, g/mol:	383.069114
ΔH_f, kcal/mol:	-142.77
Dipole, Da:	2.73
IP(EA), eV:	-8.55(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2OCC)N(C(=O)OC)O)Br

DOS

IR

Vibrations