Geometry & MOs

Info

ID:	344494
PubChem CID:	127268078
Reduced:	ON5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	76.68
Dipole, Da:	5.7
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C(=O)C1N2CCN(CC2)C3=CC=CC=C3C#N)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations