Geometry & MOs

Info

ID:	89192
PubChem CID:	49959854
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	320.05243
ΔH_f, kcal/mol:	-7.02
Dipole, Da:	3.23
IP(EA), eV:	-9.12(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-methylphenyl)-5-cyclohexyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(O2)/C=C/C3=CC=CO3

DOS

IR

Vibrations