Geometry & MOs

Info

ID:	363710
PubChem CID:	127313328
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-81.6
Dipole, Da:	2.37
IP(EA), eV:	-8.64(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC2=CC=CC=C2CNC(=O)C3CCC(=O)N3

DOS

IR

Vibrations