Geometry & MOs

Info

ID:	369616
PubChem CID:	127334896
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-6.04
Dipole, Da:	4.9
IP(EA), eV:	-8.83(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CC2)C(=O)N3CCN(CC3)CC4=NOC(=N4)C(C)(C)C

DOS

IR

Vibrations