Geometry & MOs

Info

ID:	426100
PubChem CID:	135137500
Reduced:	ON2C20H26 (1)
Stoich.:	AB2C20D26 (1)
Weight, g/mol:	362.156518
ΔH_f, kcal/mol:	2.39
Dipole, Da:	3.47
IP(EA), eV:	-8.78(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(1-methylpyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=CC=C2)CO)CC3=CC=CC=C3

DOS

IR

Vibrations