Geometry & MOs

Info

ID:	363028
PubChem CID:	127310053
Reduced:	SO3N5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-84.51
Dipole, Da:	2.17
IP(EA), eV:	-9.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3CSC4(N3C(=O)CC4)C

DOS

IR

Vibrations