Geometry & MOs

Info

ID:	88967
PubChem CID:	49958316
Reduced:	BrON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	372.04734
ΔH_f, kcal/mol:	45.56
Dipole, Da:	2.36
IP(EA), eV:	-9.2(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2,6-dimethylphenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3C)Br

DOS

IR

Vibrations