Geometry & MOs

Info

ID:	369603
PubChem CID:	127334883
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-53.29
Dipole, Da:	2.59
IP(EA), eV:	-8.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CC4=C(S3)CCOC4

DOS

IR

Vibrations