Geometry & MOs

Info

ID:	69841
PubChem CID:	47205515
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	272.072784
ΔH_f, kcal/mol:	-23.29
Dipole, Da:	3.91
IP(EA), eV:	-9.15(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1=CNC=C1C2=CC=CC=C2

DOS

IR

Vibrations