Geometry & MOs

Info

ID:	349726
PubChem CID:	127275878
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-97.12
Dipole, Da:	7.37
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)[C@@H]3CCCN3C(=O)C

DOS

IR

Vibrations