Geometry & MOs

Info

ID:	161787
PubChem CID:	57392663
Reduced:	NC17H22 (2)
Stoich.:	AB17C22 (2)
Weight, g/mol:	354.161329
ΔH_f, kcal/mol:	22.91
Dipole, Da:	0.82
IP(EA), eV:	-8.34(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC2=C1C(N(CC2)C)CC3=CC=C(C=C3)CC4C5=C(CCN4C)C=CC=C5C(C)C

DOS

IR

Vibrations