Geometry & MOs

Info

ID:	444405
PubChem CID:	135262321
Reduced:	ON7H13C17 (1)
Stoich.:	AB7C13D17 (1)
Weight, g/mol:	396.102289
ΔH_f, kcal/mol:	108.24
Dipole, Da:	3.66
IP(EA), eV:	-8.99(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NN3C=CC=C3C(=N2)NC4=C(C=NC=C4)C(=O)N

DOS

IR

Vibrations