Geometry & MOs

Info

ID:	351344
PubChem CID:	127280232
Reduced:	O3N4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	377.188546
ΔH_f, kcal/mol:	-122.76
Dipole, Da:	2.09
IP(EA), eV:	-9.39(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C(C)NC(=O)CC3CCCCC3

DOS

IR

Vibrations