Geometry & MOs

Info

ID:	140280
PubChem CID:	52674577
Reduced:	OSN2C20H28 (1)
Stoich.:	ABC2D20E28 (1)
Weight, g/mol:	344.192235
ΔH_f, kcal/mol:	-25.86
Dipole, Da:	1.28
IP(EA), eV:	-8.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1OCCN2CCC[C@@H]2C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations