Geometry & MOs

Info

ID:	69882
PubChem CID:	47205674
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	256.102334
ΔH_f, kcal/mol:	-125.39
Dipole, Da:	2.58
IP(EA), eV:	-8.57(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-difluoroanilino)-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NC1=CC(=C(C=C1)OC)Cl

DOS

IR

Vibrations