Geometry & MOs

Info

ID:	353694
PubChem CID:	127285271
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	308.094312
ΔH_f, kcal/mol:	27.52
Dipole, Da:	5.81
IP(EA), eV:	-9.41(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC2=NN=C(N2C)C3=CC=CC=C3

DOS

IR

Vibrations