Geometry & MOs

Info

ID:	363483
PubChem CID:	127311286
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	378.183795
ΔH_f, kcal/mol:	-24.52
Dipole, Da:	3.53
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)C(=O)CC3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations