Geometry & MOs

Info

ID:	348573
PubChem CID:	127273684
Reduced:	ON3C7H12 (2)
Stoich.:	AB3C7D12 (2)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	-29.14
Dipole, Da:	3.77
IP(EA), eV:	-9.15(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)methyl]piperidin-4-yl]phenol

Drug info:

PubChemData

Smile

C1CN(CCN1CCN2C=NC=N2)C(=O)CN3CCOCC3

DOS

IR

Vibrations