Geometry & MOs

Info

ID:	310945
PubChem CID:	126588577
Reduced:	INO4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	383.134443
ΔH_f, kcal/mol:	-84.67
Dipole, Da:	3.31
IP(EA), eV:	-8.52(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)I)N(C(=O)OC)O)C

DOS

IR

Vibrations