Geometry & MOs

Info

ID:	85576
PubChem CID:	49877140
Reduced:	ClON2H20C22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	301.99627
ΔH_f, kcal/mol:	80.67
Dipole, Da:	4.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;bromide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC3=CC=CC=C3N2CCOC4=CC=CC=C4.[Cl-]

DOS

IR

Vibrations