Geometry & MOs

Info

ID:	69842
PubChem CID:	47205521
Reduced:	ClFN2O2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-137.73
Dipole, Da:	6.93
IP(EA), eV:	-9.05(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations