Geometry & MOs

Info

ID:	350077
PubChem CID:	127276950
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-30.15
Dipole, Da:	1.74
IP(EA), eV:	-8.61(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2CC3=NC(=NO3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations