Geometry & MOs

Info

ID:	369615
PubChem CID:	127334895
Reduced:	SO2N6C14H20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	30.63
Dipole, Da:	1.42
IP(EA), eV:	-9.05(-1.36)
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]-[1-(2-methylphenyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CSN=N3

DOS

IR

Vibrations