Geometry & MOs

Info

ID:	365187
PubChem CID:	127317004
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	374.152495
ΔH_f, kcal/mol:	0.88
Dipole, Da:	2.45
IP(EA), eV:	-8.47(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)CC(=O)NC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations