Geometry & MOs

Info

ID:	359595
PubChem CID:	127298869
Reduced:	SO3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	362.155432
ΔH_f, kcal/mol:	-49.45
Dipole, Da:	6.52
IP(EA), eV:	-8.59(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NC4CCSCC4

DOS

IR

Vibrations