Geometry & MOs

Info

ID:	161131
PubChem CID:	57390846
Reduced:	NC17H19 (2)
Stoich.:	AB17C19 (2)
Weight, g/mol:	394.117413
ΔH_f, kcal/mol:	136.57
Dipole, Da:	16.27
IP(EA), eV:	-4.99(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC2=C1C(=[N+](C=C2)C)CC3=CC=C(C=C3)CC4=[N+](C=CC5=C4C(=CC=C5)C(C)C)C

DOS

IR

Vibrations