Geometry & MOs

Info

ID:	248361
PubChem CID:	103080971
Reduced:	ClF2N2O3C11H13 (1)
Stoich.:	AB2C2D3E11F13 (1)
Weight, g/mol:	402.94171
ΔH_f, kcal/mol:	-137.54
Dipole, Da:	5.36
IP(EA), eV:	-9.79(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])CNCCOCC(F)F)Cl

DOS

IR

Vibrations