Geometry & MOs

Info

ID:	69898
PubChem CID:	47205717
Reduced:	ClO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	284.133634
ΔH_f, kcal/mol:	-72.56
Dipole, Da:	2.03
IP(EA), eV:	-9.98(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(2,4-difluorophenyl)ethylamino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCCN(CC(=O)N)C(=O)C1=CC(=NC=C1)Cl

DOS

IR

Vibrations