Geometry & MOs

Info

ID:	194728
PubChem CID:	78582613
Reduced:	Cl2N2O4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	393.03758
ΔH_f, kcal/mol:	-92.69
Dipole, Da:	5.86
IP(EA), eV:	-8.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3-bromobenzoate

Drug info:

PubChemData

Smile

CCC(=NNC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations