Geometry & MOs

Info

ID:	341542
PubChem CID:	127264235
Reduced:	NO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	253.101561
ΔH_f, kcal/mol:	-95.3
Dipole, Da:	3.51
IP(EA), eV:	-9.28(1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole;hydrate;hydrochloride

Drug info:

PubChemData

Smile

C1[C@@H]2CNC[C@@H]2OC1CO

DOS

IR

Vibrations