Geometry & MOs

Info

ID:	357492
PubChem CID:	127294125
Reduced:	BrSO2N4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	1.27
Dipole, Da:	3.76
IP(EA), eV:	-9.3(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-indazol-1-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=CC(=CS3)Br

DOS

IR

Vibrations