Geometry & MOs

Info

ID:	73508
PubChem CID:	48417971
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	331.171834
ΔH_f, kcal/mol:	4.64
Dipole, Da:	3.05
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations