Geometry & MOs

Info

ID:	342619
PubChem CID:	127265779
Reduced:	OSN4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	338.166414
ΔH_f, kcal/mol:	70.71
Dipole, Da:	5.77
IP(EA), eV:	-8.6(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(hex-3-enylamino)phenyl]sulfonylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC2=NC(=NN2)SCC3=CN=CC(=C3)C

DOS

IR

Vibrations