Geometry & MOs

Info

ID:	365649
PubChem CID:	127318370
Reduced:	ON2F3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	317.093104
ΔH_f, kcal/mol:	-170.91
Dipole, Da:	2.45
IP(EA), eV:	-10.79(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-1-methylindol-2-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2CCCC(C2)C(F)(F)F

DOS

IR

Vibrations