Geometry & MOs

Info

ID:	423912
PubChem CID:	135120731
Reduced:	N2O3C22H32 (1)
Stoich.:	A2B3C22D32 (1)
Weight, g/mol:	285.129969
ΔH_f, kcal/mol:	-147.59
Dipole, Da:	2.06
IP(EA), eV:	-8.8(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-pyridin-2-ylazetidin-1-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CCC(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations