Geometry & MOs

Info

ID:	371052
PubChem CID:	127342244
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	375.146203
ΔH_f, kcal/mol:	-5.82
Dipole, Da:	3.75
IP(EA), eV:	-9.47(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(C1)CCN(CC2)C(=O)NCC3=CC=CC=C3N4C=CN=C4

DOS

IR

Vibrations