Geometry & MOs

Info

ID:	361690
PubChem CID:	127304405
Reduced:	O2N7C20H25 (1)
Stoich.:	A2B7C20D25 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	47.54
Dipole, Da:	6.06
IP(EA), eV:	-8.84(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-indol-1-yl-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCN(CC3)C(C)C4=NC(=NO4)C)C

DOS

IR

Vibrations