Geometry & MOs

Info

ID:	360905
PubChem CID:	127301602
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-18.71
Dipole, Da:	3.04
IP(EA), eV:	-8.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CC4=C(S3)CCCCCC4

DOS

IR

Vibrations