Geometry & MOs

Info

ID:	251082
PubChem CID:	103101349
Reduced:	ClO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	268.133554
ΔH_f, kcal/mol:	-86.24
Dipole, Da:	5.48
IP(EA), eV:	-8.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-amino-4-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(C)C(=O)NC1=C(C=C(C=C1)N)Cl

DOS

IR

Vibrations