Geometry & MOs

Info

ID:	250341
PubChem CID:	103095815
Reduced:	ClN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	292.097855
ΔH_f, kcal/mol:	-18.1
Dipole, Da:	3.99
IP(EA), eV:	-9.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=COC(=C2)C)Cl

DOS

IR

Vibrations