Geometry & MOs

Info

ID:	345779
PubChem CID:	127270079
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-39.83
Dipole, Da:	3.18
IP(EA), eV:	-9.6(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2)C(=O)N(CC=C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations