Geometry & MOs

Info

ID:	373216
PubChem CID:	131311709
Reduced:	ClN2O2F3H6C7 (1)
Stoich.:	AB2C2D3E6F7 (1)
Weight, g/mol:	213.055656
ΔH_f, kcal/mol:	-228.17
Dipole, Da:	3.12
IP(EA), eV:	-9.03(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-2-chloro-3-ethoxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1=C(C(=NC(=C1O)CCl)OC(F)(F)F)N

DOS

IR

Vibrations