Geometry & MOs

Info

ID:	30131
PubChem CID:	840210
Reduced:	ClO3N4C12H15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	333.942352
ΔH_f, kcal/mol:	-9.32
Dipole, Da:	8.84
IP(EA), eV:	-9.17(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[(1S)-2,2,2-trichloro-1-(4-chloroanilino)ethyl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations