Geometry & MOs

Info

ID:	361462
PubChem CID:	127303550
Reduced:	SO2N6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	305.160023
ΔH_f, kcal/mol:	16.14
Dipole, Da:	4.42
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-3-(triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3CCCN3C4=NC=CS4

DOS

IR

Vibrations