Geometry & MOs

Info

ID:	444412
PubChem CID:	135262332
Reduced:	F2O3C7H12 (1)
Stoich.:	A2B3C7D12 (1)
Weight, g/mol:	552.171038
ΔH_f, kcal/mol:	-243.42
Dipole, Da:	1.43
IP(EA), eV:	-9.65(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-N-(2-phenylmethoxypyridin-3-yl)-1,2,5-thiadiazol-3-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(=C(C)CF)CF.C(=O)(O)O

DOS

IR

Vibrations