Geometry & MOs

Info

ID:	139923
PubChem CID:	52617944
Reduced:	NO6C17H17 (1)
Stoich.:	AB6C17D17 (1)
Weight, g/mol:	364.997011
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	10.18
IP(EA), eV:	-8.95(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,5-dichlorophenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=O)OCCCOC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations