Geometry & MOs

Info

ID:	368796
PubChem CID:	127330138
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-93.43
Dipole, Da:	3.47
IP(EA), eV:	-8.8(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)OC=C2)NC(=O)CC3CCOC4=CC=CC=C34

DOS

IR

Vibrations