Geometry & MOs

Info

ID:	344458
PubChem CID:	127267634
Reduced:	ClO3N5C15H20 (1)
Stoich.:	AB3C5D15E20 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-19.6
Dipole, Da:	2.4
IP(EA), eV:	-9.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCC(=O)N2CCN(CC2)CC3=NC(=NO3)C)Cl

DOS

IR

Vibrations