Geometry & MOs

Info

ID:	360897
PubChem CID:	127301594
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-4.73
Dipole, Da:	2.31
IP(EA), eV:	-8.8(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropylthiophen-2-yl)-[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(CC3)C4=CC(=CC(=C4)C)C

DOS

IR

Vibrations