Geometry & MOs

Info

ID:	172144
PubChem CID:	75471519
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	313.099333
ΔH_f, kcal/mol:	-61.74
Dipole, Da:	3.32
IP(EA), eV:	-9.39(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(prop-2-enylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CN=CC(=C1)C(=O)N2CCC(=CC3=CC=CC=C3)CC2

DOS

IR

Vibrations