Geometry & MOs

Info

ID:	363069
PubChem CID:	127310100
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	5.14
IP(EA), eV:	-8.92(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3CCCN3C(=O)C

DOS

IR

Vibrations