Geometry & MOs

Info

ID:	73475
PubChem CID:	48417837
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	369.187484
ΔH_f, kcal/mol:	6.55
Dipole, Da:	4.18
IP(EA), eV:	-8.63(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3)C

DOS

IR

Vibrations