Geometry & MOs

Info

ID:	344430
PubChem CID:	127267606
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	378.183795
ΔH_f, kcal/mol:	-17.13
Dipole, Da:	3.49
IP(EA), eV:	-9.36(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-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)C3(CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations