Geometry & MOs

Info

ID:	363067
PubChem CID:	127310098
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-32.3
Dipole, Da:	3.38
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethyl-1H-indol-5-yl)-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations