Geometry & MOs

Info

ID:	363070
PubChem CID:	127310101
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-15.96
Dipole, Da:	3.4
IP(EA), eV:	-9.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropylthiophen-2-yl)-[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)C3=CSC4=C3CCCC4

DOS

IR

Vibrations