Geometry & MOs

Info

ID:	360151
PubChem CID:	127300731
Reduced:	NOC10H16 (2)
Stoich.:	ABC10D16 (2)
Weight, g/mol:	374.11611
ΔH_f, kcal/mol:	-140.34
Dipole, Da:	3.31
IP(EA), eV:	-8.77(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopropylpiperazin-1-yl)-(5,5-dioxo-1H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)methanone

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)CC34CC5CC(C3)CC(C5)(C4)O

DOS

IR

Vibrations