Geometry & MOs

Info

ID:	200491
PubChem CID:	79398619
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	289.02483
ΔH_f, kcal/mol:	-133.43
Dipole, Da:	3.82
IP(EA), eV:	-8.83(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C)NC(C)C(C)C(=O)O

DOS

IR

Vibrations