Geometry & MOs

Info

ID:	310848
PubChem CID:	126588180
Reduced:	NO2F4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	443.05438
ΔH_f, kcal/mol:	-277.02
Dipole, Da:	4.49
IP(EA), eV:	-9.0(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2F)NC(=O)CC)C(F)(F)F

DOS

IR

Vibrations