Geometry & MOs

Info

ID:	344472
PubChem CID:	127267648
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	6.77
Dipole, Da:	1.78
IP(EA), eV:	-9.45(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2H-indazol-3-yl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)CCC3=NC=CS3

DOS

IR

Vibrations