Geometry & MOs

Info

ID:	201099
PubChem CID:	79489474
Reduced:	NCl2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	295.035983
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	3.89
IP(EA), eV:	-8.87(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-5-nitrophenoxy)methyl]-5-cyclopropyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCNC(CC1=C(C=CC(=C1)Cl)Cl)C(OCC)OCC

DOS

IR

Vibrations