Geometry & MOs

Info

ID:	141152
PubChem CID:	52827495
Reduced:	O3N6H24C25 (1)
Stoich.:	A3B6C24D25 (1)
Weight, g/mol:	312.113036
ΔH_f, kcal/mol:	27.99
Dipole, Da:	7.21
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-ium-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

C1CC(C1)C2=NC3=C(N2)C=C(C=C3)NC(=O)C4CCN(CC4)C5=C(N=C(O5)C6=CC=CO6)C#N

DOS

IR

Vibrations